General Information of the Compound
Compound ID
CP0579343
Compound Name
8-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-2-propan-2-yl-3,4-dihydro-2,7-naphthyridin-1-one
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Structure
Formula
C19H26N6O
Molecular Weight
354.458
Canonical SMILES
CC(C)N1CCc2c(cnc(N)c2C1=O)-c1cnn(c1)C1CCNCC1
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InChI
InChI=1S/C19H26N6O/c1-12(2)24-8-5-15-16(10-22-18(20)17(15)19(24)26)13-9-23-25(11-13)14-3-6-21-7-4-14/h9-12,14,21H,3-8H2,1-2H3,(H2,20,22)
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InChIKey
BNRSWMLKHCENGN-UHFFFAOYSA-N
Physicochemical Property
logP
1.8585
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
89.07
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 168287504
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 = 410 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 72 nM