2094 oechem - 11161919463 d 14 15 0 0 0 0 0 0 0999 V2000型1.8177 1.8841 -0.0135 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1033 -0.6662 -0.0227 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3796 0.6473 0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0355 -1.8203 -0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0055 -0.4224 0.0069 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1352 0.5845 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7301 -0.7809 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2163 1.3787 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3104 0.7697 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3952 -1.5745 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2657 2.4553 -0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -1.3996 0.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2696 1.0424 -0.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0309 -2.4754 0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 9 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 3 8 1 0 0 0 0 3 13 1 0 0 0 0 4 7 2 10 0 0 0 0 4 1 0 0 0 0 5 9 1 0 0 0 0 5 10 2 0 0 0 0 2 6 7 1 0 0 0 0 6 8 0 0 0 0 6 9 1 0 0 0 0 8 11 1 0 0 0 0 10 14 1 0 0 0 0 M >结束
DB00437 >
drugbank >
PUBCHEM >
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OFCNXPDARWKPPY-UHFFFAOYSA-N/SDF?record_type = 3 d >
OC1 =数控= NC2 = C1C = NN2 >
InChI = 1 s /种/ c10-5-3-1-8-9-4 (3) 6-2-7-5 / h1-2H (H2, 6、7、8、9、10) >
OFCNXPDARWKPPY-UHFFFAOYSA-N >
种>
136.1115 >
136.03851077 >
4 >
14 >
11.69960765584824 >
1 >
2 >
0 >
0 >
1 h-pyrazolo [3,4 - d] pyrimidin-4-ol >
-0.41 >
0.03115159166666659 >
-0.79 >
0 >
2 >
0 >
13.007142054869755 >
8.469395654647746 >
1.2530594454947508 >
74.69 >
34.984399999999994 >
0 >
1 >
2.20 e + 1 g / l >
cetrorelix >
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