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Summary

Name:	2-[(trans-4-hydroxycyclohexyl)amino]-4-[5-(4-phenyl-1H-imidazol-1-yl)isoquinolin-1-yl]benzamide
Formula:	C31 H29 N5 O2
Formal charge:	0
Formula weight:	503.594 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-[(trans-4-hydroxycyclohexyl)amino]-4-[5-(4-phenyl-1H-imidazol-1-yl)isoquinolin-1-yl]benzamide
OpenEye OEToolkits	1.7.6	2-[(4-oxidanylcyclohexyl)amino]-4-[5-(4-phenylimidazol-1-yl)isoquinolin-1-yl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N)c2ccc(cc2NC1CCC(O)CC1)c4nccc3c(cccc34)n5cc(nc5)c6ccccc6
InChI	InChI	1.03	InChI=1S/C31H29N5O2/c32-31(38)26-14-9-21(17-27(26)35-22-10-12-23(37)13-11-22)30-25-7-4-8-29(24(25)15-16-33-30)36-18-28(34-19-36)20-5-2-1-3-6-20/h1-9,14-19,22-23,35,37H,10-13H2,(H2,32,38)/t22-,23-
InChIKey	InChI	1.03	NQRACEXQFXRLDY-YHBQERECSA-N
SMILES_CANONICAL	CACTVS	3.385	NC(=O)c1ccc(cc1N[C@@H]2CC[C@@H](O)CC2)c3nccc4c(cccc34)n5cnc(c5)c6ccccc6
SMILES	CACTVS	3.385	NC(=O)c1ccc(cc1N[CH]2CC[CH](O)CC2)c3nccc4c(cccc34)n5cnc(c5)c6ccccc6
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2cn(cn2)c3cccc4c3ccnc4c5ccc(c(c5)NC6CCC(CC6)O)C(=O)N
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2cn(cn2)c3cccc4c3ccnc4c5ccc(c(c5)NC6CCC(CC6)O)C(=O)N

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