General Information of the Compound
Compound ID
CP0403990
Compound Name
N-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
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Structure
Formula
C21H24N4O
Molecular Weight
348.45
Canonical SMILES
CC(C)CNc1cccn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1
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InChI
InChI=1S/C21H24N4O/c1-14(2)12-22-18-4-3-11-25-19(13-23-20(18)25)15-5-7-16(8-6-15)21(26)24-17-9-10-17/h3-8,11,13-14,17,22H,9-10,12H2,1-2H3,(H,24,26)
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InChIKey
VYVCVQBNQXWFAL-UHFFFAOYSA-N
Physicochemical Property
logP
3.9614
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
58.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 66555290
SID: 152162054
ChEMBL ID
CHEMBL4646621
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: PT01348, Dual specificity protein kinase TTK
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 2180 nM
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