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Summary Geometry Related PDB entries

VH7

Summary

Name:	N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
Formula:	C23 H27 N3 O2
Formal charge:	0
Formula weight:	377.479 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-2-phenyl-imidazo[1,2-a]pyridine-6-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1C(CCC(C(C)(O)C)C1)NC(=O)c4ccc2n(cc(n2)c3ccccc3)c4
InChI	InChI	1.03	InChI=1S/C23H27N3O2/c1-23(2,28)18-9-11-19(12-10-18)24-22(27)17-8-13-21-25-20(15-26(21)14-17)16-6-4-3-5-7-16/h3-8,13-15,18-19,28H,9-12H2,1-2H3,(H,24,27)/t18-,19-
InChIKey	InChI	1.03	GOQZMCCBUBCPNK-WGSAOQKQSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)(O)[C@@H]1CC[C@H](CC1)NC(=O)c2ccc3nc(cn3c2)c4ccccc4
SMILES	CACTVS	3.385	CC(C)(O)[CH]1CC[CH](CC1)NC(=O)c2ccc3nc(cn3c2)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)(C1CCC(CC1)NC(=O)c2ccc3nc(cn3c2)c4ccccc4)O
SMILES	OpenEye OEToolkits	2.0.7	CC(C)(C1CCC(CC1)NC(=O)c2ccc3nc(cn3c2)c4ccccc4)O

222624

数据于2024-07-17公开中

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