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Summary Geometry Related PDB entries

07F

Summary

Name:	5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3H)-one
Formula:	C26 H23 F N2 O2
Formal charge:	0
Formula weight:	414.471 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3H)-one
OpenEye OEToolkits	2.0.7	2-(3-fluoranyl-2-oxidanyl-phenyl)-6-methyl-3-(2-phenylethyl)-5-(phenylmethyl)pyrimidin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cccc(C2=NC(C)=C(Cc3ccccc3)C(=O)N2CCc2ccccc2)c1O
InChI	InChI	1.03	InChI=1S/C26H23FN2O2/c1-18-22(17-20-11-6-3-7-12-20)26(31)29(16-15-19-9-4-2-5-10-19)25(28-18)21-13-8-14-23(27)24(21)30/h2-14,30H,15-17H2,1H3
InChIKey	InChI	1.03	BFDADFMMNADXMI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC1=C(Cc2ccccc2)C(=O)N(CCc3ccccc3)C(=N1)c4cccc(F)c4O
SMILES	CACTVS	3.385	CC1=C(Cc2ccccc2)C(=O)N(CCc3ccccc3)C(=N1)c4cccc(F)c4O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC1=C(C(=O)N(C(=N1)c2cccc(c2O)F)CCc3ccccc3)Cc4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	CC1=C(C(=O)N(C(=N1)c2cccc(c2O)F)CCc3ccccc3)Cc4ccccc4

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