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Summary Geometry Related PDB entries

SB0

Summary

Name:	trans-4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1H-imidazol-1-yl]cyclohexanol
Formula:	C20 H21 F N4 O2
Formal charge:	0
Formula weight:	368.405 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	trans-4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1H-imidazol-1-yl]cyclohexanol
OpenEye OEToolkits	1.7.6	4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc4ccc(c1ncn(c1c2nc(OC)ncc2)C3CCC(O)CC3)cc4
InChI	InChI	1.03	InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16-
InChIKey	InChI	1.03	ZQUSFAUAYSEREK-WKILWMFISA-N
SMILES_CANONICAL	CACTVS	3.370	COc1nccc(n1)c2n(cnc2c3ccc(F)cc3)[C@@H]4CC[C@@H](O)CC4
SMILES	CACTVS	3.370	COc1nccc(n1)c2n(cnc2c3ccc(F)cc3)[CH]4CC[CH](O)CC4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	COc1nccc(n1)c2c(ncn2C3CCC(CC3)O)c4ccc(cc4)F
SMILES	OpenEye OEToolkits	1.7.6	COc1nccc(n1)c2c(ncn2C3CCC(CC3)O)c4ccc(cc4)F

223790

건을2024-08-14부터공개중

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