English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

1C7

Summary

Name:	(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenyl-1H-imidazol-1-yl)-7,8-dihydropteridin-6(5H)-one
Formula:	C23 H26 N6 O
Formal charge:	0
Formula weight:	402.492 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenyl-1H-imidazol-1-yl)-7,8-dihydropteridin-6(5H)-one
OpenEye OEToolkits	1.7.6	(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1N(c3cnc(nc3N(C1CC)C2CCCC2)n5ccnc5c4ccccc4)C
InChI	InChI	1.03	InChI=1S/C23H26N6O/c1-3-18-22(30)27(2)19-15-25-23(26-21(19)29(18)17-11-7-8-12-17)28-14-13-24-20(28)16-9-5-4-6-10-16/h4-6,9-10,13-15,17-18H,3,7-8,11-12H2,1-2H3/t18-/m1/s1
InChIKey	InChI	1.03	JMDRAMDTWLAOHD-GOSISDBHSA-N
SMILES_CANONICAL	CACTVS	3.370	CC[C@H]1N(C2CCCC2)c3nc(ncc3N(C)C1=O)n4ccnc4c5ccccc5
SMILES	CACTVS	3.370	CC[CH]1N(C2CCCC2)c3nc(ncc3N(C)C1=O)n4ccnc4c5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5ccccc5)C
SMILES	OpenEye OEToolkits	1.7.6	CCC1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5ccccc5)C

223532

PDB entries from 2024-08-07

PDB statistics

PDBj update info

Contact PDBj

numon