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Summary Geometry Related PDB entries

YP0

Summary

Name:	(4M,8P)-8-(2-fluorophenyl)-4-[(3P)-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-dihydro-2H-1,5-benzodiazepin-2-one
Formula:	C24 H17 F N4 O2
Formal charge:	0
Formula weight:	412.416 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4M,8P)-8-(2-fluorophenyl)-4-[(3P)-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-dihydro-2H-1,5-benzodiazepin-2-one
OpenEye OEToolkits	2.0.7	8-(2-fluorophenyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1nnc(o1)c1cc(ccc1)C=1CC(=O)Nc2cc(ccc2N=1)c1ccccc1F
InChI	InChI	1.06	InChI=1S/C24H17FN4O2/c1-14-28-29-24(31-14)17-6-4-5-16(11-17)21-13-23(30)27-22-12-15(9-10-20(22)26-21)18-7-2-3-8-19(18)25/h2-12H,13H2,1H3,(H,27,30)
InChIKey	InChI	1.06	VWBYRYSGMIRSNX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1oc(nn1)c2cccc(c2)C3=Nc4ccc(cc4NC(=O)C3)c5ccccc5F
SMILES	CACTVS	3.385	Cc1oc(nn1)c2cccc(c2)C3=Nc4ccc(cc4NC(=O)C3)c5ccccc5F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1nnc(o1)c2cccc(c2)C3=Nc4ccc(cc4NC(=O)C3)c5ccccc5F
SMILES	OpenEye OEToolkits	2.0.7	Cc1nnc(o1)c2cccc(c2)C3=Nc4ccc(cc4NC(=O)C3)c5ccccc5F

246905

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