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Summary Geometry Related PDB entries

H7P

Summary

Name:	(2R)-N-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
Formula:	C24 H24 Cl F N2 O
Formal charge:	0
Formula weight:	410.912 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2R)-N-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
OpenEye OEToolkits	2.0.6	(2~{R})-~{N}-(4-chlorophenyl)-2-[4-(6-fluoranylquinolin-4-yl)cyclohexyl]propanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C3(c2c1c(ccc(c1)F)ncc2)CCC(CC3)C(C(Nc4ccc(cc4)Cl)=O)C
InChI	InChI	1.03	InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16-,17+/m1/s1
InChIKey	InChI	1.03	KRTIYQIPSAGSBP-ZACQAIPSSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@H]([C@H]1CC[C@H](CC1)c2ccnc3ccc(F)cc23)C(=O)Nc4ccc(Cl)cc4
SMILES	CACTVS	3.385	C[CH]([CH]1CC[CH](CC1)c2ccnc3ccc(F)cc23)C(=O)Nc4ccc(Cl)cc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	C[C@H](C1CCC(CC1)c2ccnc3c2cc(cc3)F)C(=O)Nc4ccc(cc4)Cl
SMILES	OpenEye OEToolkits	2.0.6	CC(C1CCC(CC1)c2ccnc3c2cc(cc3)F)C(=O)Nc4ccc(cc4)Cl

248335

PDB entries from 2026-01-28

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