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Summary Geometry Related PDB entries

BZ9

Summary

Name:	N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine
Formula:	C28 H23 N7 O
Formal charge:	0
Formula weight:	473.529 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine
OpenEye OEToolkits	1.5.0	N-[3-methyl-4-[3-(2-methylaminopyrimidin-4-yl)pyridin-2-yl]oxy-naphthalen-1-yl]-1H-benzimidazol-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1ccc(nc1NC)c6cccnc6Oc3c2c(cccc2)c(cc3C)Nc5nc4ccccc4n5
SMILES_CANONICAL	CACTVS	3.341	CNc1nccc(n1)c2cccnc2Oc3c(C)cc(Nc4[nH]c5ccccc5n4)c6ccccc36
SMILES	CACTVS	3.341	CNc1nccc(n1)c2cccnc2Oc3c(C)cc(Nc4[nH]c5ccccc5n4)c6ccccc36
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC)Nc5[nH]c6ccccc6n5
SMILES	OpenEye OEToolkits	1.5.0	Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC)Nc5[nH]c6ccccc6n5
InChI	InChI	1.03	InChI=1S/C28H23N7O/c1-17-16-24(35-28-33-22-11-5-6-12-23(22)34-28)18-8-3-4-9-19(18)25(17)36-26-20(10-7-14-30-26)21-13-15-31-27(29-2)32-21/h3-16H,1-2H3,(H,29,31,32)(H2,33,34,35)
InChIKey	InChI	1.03	JXKDTYDBDDKIPY-UHFFFAOYSA-N

222415

건을2024-07-10부터공개중

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