PDB CCD ID: | CLQ |
Number of entries in BioLiP: | 14 |
Chemical formula: | C18 H26 Cl N3 |
InChI: | InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/t14-/m1/s1 |
InChIKey: | WHTVZRBIWZFKQO-CQSZACIVSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | CCN(CC)CCCC(C)Nc1ccnc2c1ccc(c2)Cl | CACTVS 3.341 | CCN(CC)CCC[CH](C)Nc1ccnc2cc(Cl)ccc12 | CACTVS 3.341 | CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12 | OpenEye OEToolkits 1.5.0 | CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl | ACDLabs 10.04 | Clc1cc2nccc(c2cc1)NC(C)CCCN(CC)CC |
|
Name: | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE; CHLOROQUINE |
ChEMBL: | CHEMBL252715 |
ZINC: | ZINC000019144226 |