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

6WJ

Summary

Name:	1-(cyclopropylmethyl)-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-2,4-dione
Formula:	C21 H24 N4 O4 S2
Formal charge:	0
Formula weight:	460.57 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	1-(cyclopropylmethyl)-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C21H24N4O4S2/c1-13-22-10-15(30-13)12-25-19(26)17-9-16(31(28,29)23-21(2)7-8-21)5-6-18(17)24(20(25)27)11-14-3-4-14/h5-6,9-10,14,23H,3-4,7-8,11-12H2,1-2H3
InChIKey	InChI	1.06	VHRYOZHNFLYWFP-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1sc(CN2C(=O)N(CC3CC3)c4ccc(cc4C2=O)[S](=O)(=O)NC5(C)CC5)cn1
SMILES	CACTVS	3.385	Cc1sc(CN2C(=O)N(CC3CC3)c4ccc(cc4C2=O)[S](=O)(=O)NC5(C)CC5)cn1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ncc(s1)CN2C(=O)c3cc(ccc3N(C2=O)CC4CC4)S(=O)(=O)NC5(CC5)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1ncc(s1)CN2C(=O)c3cc(ccc3N(C2=O)CC4CC4)S(=O)(=O)NC5(CC5)C

247947

PDB entries from 2026-01-21

PDB statistics

PDBj update info

Contact PDBj

numon