936 oechem - 07251913343 d 15 15 0 0 0 0 0 0 0999 V2000型-2.3940 1.1116 -0.0088 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7614 -1.2284 -0.0034 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4052 -1.1814 0.0027 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2969 0.0397 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4261 1.2273 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4117 -1.1510 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8161 1.1886 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7494 0.0472 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4302 -0.0535 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.07202.1930 - 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0488 -2.1309 -0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4005 2.1016 0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5119 -0.1381 -0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9562 -2.0884 0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4202 -1.2053 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 6 1 0 0 0 0 2 8 9 2 0 0 0 0 3 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 7 2 10 0 0 0 0 5 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 13 1 0 0 0 0M END >
DB02701 >
drugbank >
PUBCHEM >
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DFPAKSUCGFBDDF-UHFFFAOYSA-N/SDF?record_type=3d >
数控(= O) C1 = CN = CC = C1 >
InChI = 1 s / C6H6N2O c7-6 (9) 5-2-1-3-8-4-5 / h1-4H (H2、7、9)>
DFPAKSUCGFBDDF-UHFFFAOYSA-N >
C6H6N2O >
122.1246 >
122.048012824 >
2 >
15 >
11.711267443233845 >
1 >
1 >
0 >
0 >
pyridine-3-carboxamide >
-0.3937863166666665 >
0 >
1 >
0 >
13.385761887715242 >
3.634895404358332 >
55.980000000000004 >
32.979499999999994 >
1 >
1 >
烟酰胺>
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