446156 oechem - 10051719153 d 67 68 0 1 0 0 0 0 0999 V2000型-3.8142 5.0099 0.0163 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6154 -1.1295 -0.6154 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7563 3.8810 0.6533 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3411 1.3010 -1.5002 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9994 -1.0756 1.1044 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6726 -1.3018 -0.7248 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5245 -2.6957 -0.0069 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8295 -2.4704 0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2293 -1.6065 -0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0-2.4132 -1.2139 0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2581 -0.3095 -0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6056 -0.1181 -0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6672 -1.8903 -0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6451 -3.6865 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 -1.0575 0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1802 1.2178 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 0.8198 -0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2423 2.6907 0.0412 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8449 -2.7621 -1.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3945-2.5337 - 0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7056 -4.6572 -0.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 -4.4294 1.8173 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6626 2.3835 0.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 1.5256 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2834 1.1294 -0.0863 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1935 1.9668 1.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7189 1.7498 -1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6781 0.8084 0.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7455 3.2478 1.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 3.0308 -1.1654 C0 0 0 0 0 0 0 0 0 0 0 -3.2842 3.7797 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0084 -0.9859 -0.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1032 -0.6183 0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2133 -0.9762 -0.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6941 -3.4641 0.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2349 -1.7612 1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0611 -0.0873 1.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 1.0674 -1.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2817 2.8878 -1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2941 3.2551 0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6509 2.2880 1.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3991 -3.7542 -1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3677 -2.2945 -2.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -2.8982 -2.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9604 -3.5057 0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3298 -1.8907 1.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 -2.6898 0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3540 -5.5110 -0.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1036 -4.1550 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7128 -5.0463 -0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1633 -3.7646 2.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8011 -5.2854 2.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -4.8033 1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2106 1.2575 1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6398 0.2729 0.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7782 1.5668 2.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7171 1.1790 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6816 0.9539 1.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4321 1.4640 0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7559 3.8312 2.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6907 3.4452 -2.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8474 4.0253 0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6824 0.4754 -1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3697 -1.7900 0.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2213 -0.0117 0.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5319 -1.0485 -1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2569 -2.0057 0.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 15 1 0 0 0 0 2 32 1 0 0 0 0 3 18 1 0 0 0 0 3 62 1 0 0 0 0 4 25 1 0 0 0 0 4 63 1 0 0 0 0 5 33 1 0 0 0 0 5 67 1 0 0 0 0 6 33 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 16 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 34 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 26 2 0 0 0 0 16 27 1 0 0 0 0 17 24 2 0 0 0 0 17 38 1 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 18 39 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 54 1 0 0 0 0 25 28 1 0 0 0 0 25 55 1 0 0 0 0 26 29 1 0 0 0 0 26 56 1 0 0 0 0 27 30 2 0 0 0 0 27 57 1 0 0 0 0 28 33 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 31 2 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 30 61 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 M END >
DB00439 >
drugbank >
PUBCHEM >
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SEERZIQQUAZTOL-ANMDKAQQSA-N/SDF?record_type=3d >
COCC1 = C (C2 = CC = C (F) C = C2) C (\ C = C \ [C@@H] (O) C [C@@H] (O) CC (O) = O) = C (C (C) C) N = C1C (C) C >
InChI = 1 s / C26H34FNO5 c1-15(2)摘要(11-10-19 (29)12-20 (30)13-23 (31)32)24 (17-6-8-18 (27)17-6-8-18)22 (14-33-5)26 (28-25)16 (3)4 / h6-11, 15 - 16岁,19日至20日,29-30H, 12-14H2, 1-5H3, (H、31、32)/ b11-10 + / t19 - 20 - m1 / s1 >
SEERZIQQUAZTOL-ANMDKAQQSA-N >
C26H34FNO5 >
459.5503 >
459.242101408 >
6 >
67年>
-0.9622903995864016 >
49.43284537049426 >
1 >
3 >
0 >
1 >
(3R,5S,6E)-7-[4-(4-氟苯基)-5-(甲氧基甲基)-2,6-双(丙烷-2-基)吡啶-3-基]-3,5-二羟基庚-6-烯酸>
4.15 >
2.6681542381694316 >
-5.04 >
0 >
1 >
2 >
1 >
14.649338048923237 >
4.049301817086695 >
5.579559433437144 >
99.88000000000001 >
126.82320000000003 >
11 >
1 >
4.19e-03 g/l >
生物素>
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