SB0

trans-4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1H-imidazol-1-yl]cyclohexanol

Created:	2012-06-01
Last modified:	2013-06-05

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1 entries where SB0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	17

2D diagram of SB0

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Chemical Component Summary
Name	trans-4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1H-imidazol-1-yl]cyclohexanol
Systematic Name (OpenEye OEToolkits)	4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol
Formula	C₂₀ H₂₁ F N₄ O₂
Molecular Weight	368.405
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc4ccc(c1ncn(c1c2nc(OC)ncc2)C3CCC(O)CC3)cc4
SMILES	CACTVS	3.370	COc1nccc(n1)c2n(cnc2c3ccc(F)cc3)[CH]4CC[CH](O)CC4
SMILES	OpenEye OEToolkits	1.7.6	COc1nccc(n1)c2c(ncn2C3CCC(CC3)O)c4ccc(cc4)F
Canonical SMILES	CACTVS	3.370	COc1nccc(n1)c2n(cnc2c3ccc(F)cc3)[C@@H]4CC[C@@H](O)CC4
Canonical SMILES	OpenEye OEToolkits	1.7.6	COc1nccc(n1)c2c(ncn2C3CCC(CC3)O)c4ccc(cc4)F
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

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.