CFam Chemical Families Database
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You are searching for "CFAMM00113226" in compound.

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CFAM Mol ID CFAMM00113226
Family CFFAD925 Sarcoplasmic/endoplasmic reticulum calcium ATPase inhibitor quinoline derivative Piperaquine Family
Superfamily CFSAD133 Glutamate dehydrogenase, calcium ATPase binding quinoline derivative Chloroquine Piperaquine Superfamily
Class CFCAD131 Class 131
External ID CHEMBL2037386 External Source CHEMBL
PubChem CID 70683935 Functional Category Bioactive
Molecule Name N'-(7-chloroquinolin-4-yl)-N-[[4-[5-[4-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenyl]thiophen-2-yl]phenyl]methyl]propane-1,3-diamine;2,2,2-trifluoroacetic acid
IUPAC Name N'-(7-chloroquinolin-4-yl)-N-[[4-[5-[4-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenyl]thiophen-2-yl]phenyl]methyl]propane-1,3-diamine;2,2,2-trifluoroacetic acid
InChi InChI=1S/C42H40Cl2N6S.C2HF3O2/c43-33-11-13-35-37(17-23-49-39(35)25-33)47-21-1-19-45-27-29-3-7-31(8-4-29)41-15-16-42(51-41)32-9-5-30(6-10-32)28-46-20-2-22-48-38-18-24-50-40-26-34(44)12-14-36(38)40;3-2(4,5)1(6)7/h3-18,23-26,45-46H,1-2,19-22,27-28H2,(H,47,49)(H,48,50);(H,6,7)
Formula C44H41Cl2F3N6O2S Molecular Weight 845.80
Cross Link CHEMBL2037386

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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