General Information of the Compound
Compound ID
CP0579475
Compound Name
5-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-8-amino-2-cyclohexyl-3,4-dihydro-2,7-naphthyridin-1-one
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Structure
Formula
C24H32N6O2
Molecular Weight
436.56
Canonical SMILES
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1
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InChI
InChI=1S/C24H32N6O2/c1-16(31)28-10-7-19(8-11-28)30-15-17(13-27-30)21-14-26-23(25)22-20(21)9-12-29(24(22)32)18-5-3-2-4-6-18/h13-15,18-19H,2-12H2,1H3,(H2,25,26)
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InChIKey
WJSYQJFCHPTVCI-UHFFFAOYSA-N
Physicochemical Property
logP
3.0417
Rotatable Bonds
3
Heavy Atom Count
32
Polar Areas
97.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
32

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 168277053
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01129, Activin receptor type-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 762 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 17 nM