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Summary Geometry Related PDB entries

2OQ

Summary

Name:	1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol
Formula:	C19 H20 N6 O
Formal charge:	0
Formula weight:	348.402 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol
OpenEye OEToolkits	1.7.6	1-[2-[3-(4-azanyl-1,3,5-triazin-2-yl)-2-methyl-benzimidazol-5-yl]ethynyl]cyclohexan-1-ol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n3c2ccc(C#CC1(O)CCCCC1)cc2n(c3C)c4ncnc(n4)N
InChI	InChI	1.03	InChI=1S/C19H20N6O/c1-13-23-15-6-5-14(7-10-19(26)8-3-2-4-9-19)11-16(15)25(13)18-22-12-21-17(20)24-18/h5-6,11-12,26H,2-4,8-9H2,1H3,(H2,20,21,22,24)
InChIKey	InChI	1.03	RSIUBEYNBJJYTG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1nc2ccc(cc2n1c3ncnc(N)n3)C#CC4(O)CCCCC4
SMILES	CACTVS	3.385	Cc1nc2ccc(cc2n1c3ncnc(N)n3)C#CC4(O)CCCCC4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC4(CCCCC4)O
SMILES	OpenEye OEToolkits	1.7.6	Cc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC4(CCCCC4)O

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