CFam Chemical Families Database
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You are searching for "CFAMM00452379" in compound.

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CFAM Mol ID CFAMM00452379
Family CFFBM19611 Adenosine receptor A1 and Adenosine receptor A2a ligand AGN-PC-005LXA family
Superfamily CFSBM357 Melanin-concentrating hormone receptor 1 and Adenosine receptor A1 Binder Superfamily
Class CFCCD350 Class 1163
External ID ZINC02100314 External Source ZINC
PubChem CID 51382893 Functional Category Natural Product
Molecule Name AGN-PC-0947BV
IUPAC Name 2-amino-N-[2-(4-methoxycyclohexyl)ethyl]-1-(3-methoxypropyl)-5-oxo-1,2,3,4,4a,7,8,9,10,10a,11,11a-dodecahydrodipyrido[1,2-d:2',5'-e]pyrimidin-1-ium-3-carboxamide
Synonyms ZINC02100314;2-amino-N-[2-(4-methoxycyclohexyl)ethyl]-1-(3-methoxypropyl)-5-oxo-1,2,3,4,4a,7,8,9,10,10a,11,11a-dodecahydrodipyrido[1,2-d:2',5'-e]pyrimidin-1-ium-3-carboxamide
InChi InChI=1S/C25H45N5O4/c1-33-15-5-14-30-22(26)19(24(31)27-12-11-17-7-9-18(34-2)10-8-17)16-20-23(30)28-21-6-3-4-13-29(21)25(20)32/h17-23,28H,3-16,26H2,1-2H3,(H,27,31)/p+1
Formula C25H46N5O4+ Molecular Weight 480.66
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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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