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Summary Geometry Related PDB entries

G2D

Summary

Name:	N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide
Formula:	C24 H25 N3 O2
Formal charge:	0
Formula weight:	387.474 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide
OpenEye OEToolkits	2.0.6	~{N}-[(1~{R})-6-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1~{H}-inden-1-yl]-3-methoxy-4-methyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c5c(c(cc(C(NC4c3c(ccc(c2cn1c(CCC1)n2)c3)CC4)=O)c5)OC)C
InChI	InChI	1.03	InChI=1S/C24H25N3O2/c1-15-5-6-18(13-22(15)29-2)24(28)26-20-10-9-16-7-8-17(12-19(16)20)21-14-27-11-3-4-23(27)25-21/h5-8,12-14,20H,3-4,9-11H2,1-2H3,(H,26,28)/t20-/m1/s1
InChIKey	InChI	1.03	PHINNLAJTUGZSZ-HXUWFJFHSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(ccc1C)C(=O)N[C@@H]2CCc3ccc(cc23)c4cn5CCCc5n4
SMILES	CACTVS	3.385	COc1cc(ccc1C)C(=O)N[CH]2CCc3ccc(cc23)c4cn5CCCc5n4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1OC)C(=O)N[C@@H]2CCc3c2cc(cc3)c4cn5c(n4)CCC5
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1OC)C(=O)NC2CCc3c2cc(cc3)c4cn5c(n4)CCC5

222624

数据于2024-07-17公开中

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