CFam Chemical Families Database
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You are searching for "CFAMM00396330" in compound.

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CFAM Mol ID CFAMM00396330
Family CFFBM9538 Amyloid beta A4 protein and Luciferin 4-monooxygenase inhibitor 4-(1,3-Benzothiazol-2-yl)-N,N-dimethylaniline family
Superfamily CFSBM343 Acetylcholinesterase and Histamine H3 receptor Binder Superfamily
Class CFCBM134 Class 3184
External ID CHEMBL466853 External Source CHEMBL
PubChem CID 6364517 Functional Category Bioactive
Molecule Name 3,3'-Diethyl-9-methylthiacarbocyanine iodide
IUPAC Name (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole;iodide
Synonyms EINECS 221-317-2;NSC 96932;NSC96932;T0500-8750;3065-79-0;3-Ethyl-2-(3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl)benzothiazolium iodide;Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl)-, iodide;Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2-benzothiazolinylidene)-2-methyl-1-propenyl)-, iodide;SMR000354813;ST51006998
InChi InChI=1S/C22H23N2S2.HI/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1
Formula C22H23IN2S2 Molecular Weight 506.47
Cross Link CHEMBL466853

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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