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Summary

Name:	5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide
Formula:	C23 H35 F3 N4 O4 S
Formal charge:	0
Formula weight:	520.609 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide
OpenEye OEToolkits	2.0.7	5-cyclopropyl-~{N}-[1-[[4-[4,4,4-tris(fluoranyl)butylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C4C(NCCCC(F)(F)F)CCC(CS(N1CCC(CC1)NC(=O)c3cc(C2CC2)on3)(=O)=O)C4
InChI	InChI	1.03	InChI=1S/C23H35F3N4O4S/c24-23(25,26)10-1-11-27-18-6-2-16(3-7-18)15-35(32,33)30-12-8-19(9-13-30)28-22(31)20-14-21(34-29-20)17-4-5-17/h14,16-19,27H,1-13,15H2,(H,28,31)/t16-,18-
InChIKey	InChI	1.03	VAYJCVQRMIULEM-SAABIXHNSA-N
SMILES_CANONICAL	CACTVS	3.385	FC(F)(F)CCCN[C@H]1CC[C@@H](CC1)C[S](=O)(=O)N2CC[C@@H](CC2)NC(=O)c3cc(on3)C4CC4
SMILES	CACTVS	3.385	FC(F)(F)CCCN[CH]1CC[CH](CC1)C[S](=O)(=O)N2CC[CH](CC2)NC(=O)c3cc(on3)C4CC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CC3CCC(CC3)NCCCC(F)(F)F)C4CC4
SMILES	OpenEye OEToolkits	2.0.7	c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CC3CCC(CC3)NCCCC(F)(F)F)C4CC4

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건을2024-07-17부터공개중

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