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Summary Geometry Related PDB entries

74N

Summary

Name:	4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide
Formula:	C23 H21 N7 O
Formal charge:	0
Formula weight:	411.459 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.5	4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C23H21N7O/c1-30-22(23(11-12-23)16-5-3-2-4-6-16)28-21(29-30)17-13-26-19(24)18(27-17)14-7-9-15(10-8-14)20(25)31/h2-10,13H,11-12H2,1H3,(H2,24,26)(H2,25,31)
InChIKey	InChI	1.03	OASVVQQPBXNNOH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1nc(nc1C2(CC2)c3ccccc3)c4cnc(N)c(n4)c5ccc(cc5)C(N)=O
SMILES	CACTVS	3.385	Cn1nc(nc1C2(CC2)c3ccccc3)c4cnc(N)c(n4)c5ccc(cc5)C(N)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.5	Cn1c(nc(n1)c2cnc(c(n2)c3ccc(cc3)C(=O)N)N)C4(CC4)c5ccccc5
SMILES	OpenEye OEToolkits	2.0.5	Cn1c(nc(n1)c2cnc(c(n2)c3ccc(cc3)C(=O)N)N)C4(CC4)c5ccccc5

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