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Summary Geometry Related PDB entries

QS3

Summary

Name:	(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-3'-methyl-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione
Formula:	C21 H16 Cl N3 O3
Formal charge:	0
Formula weight:	393.823 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-3'-methyl-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione
OpenEye OEToolkits	2.0.7	(4~{S})-6-chloranyl-3'-isoquinolin-4-yl-1'-methyl-spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc2OCCC3(C(=O)N(C(=O)N3C)c3cncc4ccccc43)c2c1
InChI	InChI	1.06	InChI=1S/C21H16ClN3O3/c1-24-20(27)25(17-12-23-11-13-4-2-3-5-15(13)17)19(26)21(24)8-9-28-18-7-6-14(22)10-16(18)21/h2-7,10-12H,8-9H2,1H3/t21-/m0/s1
InChIKey	InChI	1.06	JBTXEVNTEFVYSG-NRFANRHFSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1C(=O)N(C(=O)[C@@]12CCOc3ccc(Cl)cc23)c4cncc5ccccc45
SMILES	CACTVS	3.385	CN1C(=O)N(C(=O)[C]12CCOc3ccc(Cl)cc23)c4cncc5ccccc45
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN1C(=O)N(C(=O)[C@@]12CCOc3c2cc(cc3)Cl)c4cncc5c4cccc5
SMILES	OpenEye OEToolkits	2.0.7	CN1C(=O)N(C(=O)C12CCOc3c2cc(cc3)Cl)c4cncc5c4cccc5

218853

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