General Information of the Compound
Compound ID
CP0302480
Compound Name
2-N-(3-chlorophenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
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Structure
Formula
C19H14ClN5
Molecular Weight
347.809
Canonical SMILES
Clc1cccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)c1
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InChI
InChI=1S/C19H14ClN5/c20-14-5-3-6-15(11-14)24-19-21-9-8-18(25-19)23-16-10-13-4-1-2-7-17(13)22-12-16/h1-12H,(H2,21,23,24,25)
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InChIKey
AAHOZWNLWKBWNN-UHFFFAOYSA-N
Physicochemical Property
logP
5.1654
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
62.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 20826932
ChEMBL ID
CHEMBL1760054
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: PT01104, Insulin-like growth factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
IC50 = 3377 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 41 nM