General Information of the Compound
Compound ID
CP0257234
Compound Name
N-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
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Structure
Formula
C20H23N5O
Molecular Weight
349.438
Canonical SMILES
CC(C)CNc1nccn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1
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InChI
InChI=1S/C20H23N5O/c1-13(2)11-22-18-19-23-12-17(25(19)10-9-21-18)14-3-5-15(6-4-14)20(26)24-16-7-8-16/h3-6,9-10,12-13,16H,7-8,11H2,1-2H3,(H,21,22)(H,24,26)
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InChIKey
QTOFVYOMOKYCEQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.3564
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
71.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 67974488
SID: 163541121
ChEMBL ID
CHEMBL3410060
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 = 670 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.4 nM
2 IC50 = 14 nM
3 IC50 = 55 nM