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

OU7

Summary

Name:	7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine
Formula:	C21 H20 N4 O S
Formal charge:	0
Formula weight:	376.475 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine
OpenEye OEToolkits	2.0.7	7-[3-(aminomethyl)-4-(1,3-thiazol-5-ylmethoxy)phenyl]-4-methyl-quinolin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c21nc(N)cc(c1ccc(c2)c4ccc(OCc3cncs3)c(CN)c4)C
InChI	InChI	1.03	InChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-11-17-10-24-12-27-17/h2-8,10,12H,9,11,22H2,1H3,(H2,23,25)
InChIKey	InChI	1.03	SHBUNLMNTXCFTE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc(N)nc2cc(ccc12)c3ccc(OCc4scnc4)c(CN)c3
SMILES	CACTVS	3.385	Cc1cc(N)nc2cc(ccc12)c3ccc(OCc4scnc4)c(CN)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cncs4)N
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cncs4)N

223532

PDB entries from 2024-08-07

PDB statistics

PDBj update info

Contact PDBj

numon