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Summary Geometry Related PDB entries

A7A

Summary

Name:	(R)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol
Formula:	C26 H25 N5 O
Formal charge:	0
Formula weight:	423.51 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(R)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol
OpenEye OEToolkits	2.0.6	(~{R})-[1-[(2,5-dimethylphenyl)methyl]-6-(1-methylpyrazol-4-yl)benzimidazol-2-yl]-pyridin-4-yl-methanol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(c1n(c2c(n1)ccc(c2)c3cnn(c3)C)Cc4c(ccc(c4)C)C)c5ccncc5
InChI	InChI	1.03	InChI=1S/C26H25N5O/c1-17-4-5-18(2)21(12-17)16-31-24-13-20(22-14-28-30(3)15-22)6-7-23(24)29-26(31)25(32)19-8-10-27-11-9-19/h4-15,25,32H,16H2,1-3H3/t25-/m1/s1
InChIKey	InChI	1.03	RZGFWGNCSYUEPR-RUZDIDTESA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cc(cn1)c2ccc3nc([C@H](O)c4ccncc4)n(Cc5cc(C)ccc5C)c3c2
SMILES	CACTVS	3.385	Cn1cc(cn1)c2ccc3nc([CH](O)c4ccncc4)n(Cc5cc(C)ccc5C)c3c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1ccc(c(c1)Cn2c3cc(ccc3nc2[C@@H](c4ccncc4)O)c5cnn(c5)C)C
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(c(c1)Cn2c3cc(ccc3nc2C(c4ccncc4)O)c5cnn(c5)C)C

219140

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