General Information of the Compound
Compound ID
CP0562750
Compound Name
N-[5-cyano-4-[[(2S)-1-methoxypropan-2-yl]amino]pyridin-2-yl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
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Structure
Formula
C26H32N8O4
Molecular Weight
520.594
Canonical SMILES
COC[C@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
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InChI
InChI=1S/C26H32N8O4/c1-17(16-38-3)29-21-10-23(28-12-20(21)11-27)31-26(37)34-6-4-5-18-9-19(22(15-35)30-25(18)34)13-33-8-7-32(2)14-24(33)36/h9-10,12,15,17H,4-8,13-14,16H2,1-3H3,(H2,28,29,31,37)/t17-/m0/s1
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InChIKey
ODGIYJISIWJCTG-KRWDZBQOSA-N
Physicochemical Property
logP
1.86628
Rotatable Bonds
8
Heavy Atom Count
38
Polar Areas
143.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
9
Complexity
38

"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: 118037177
ChEMBL ID
CHEMBL4787060
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: PT01343, Fibroblast growth factor receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 2.4 nM
   TI
   LI
   LO
   TS
Protein ID: PT07029, Fibroblast growth factor receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  2
1
IC50 = 5.7 nM
   TI
   LI
   LO
   TS
2
IC50 = 68 nM
   TI
   LI
   LO
   TS