General Information of the Compound
Compound ID
CP0019734
Compound Name
4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)cinnoline-3-carboxamide
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Structure
Formula
C15H16N6O
Molecular Weight
296.334
Canonical SMILES
CC(C)Nc1c(nnc2ccc(cc12)-c1cn[nH]c1)C(N)=O
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InChI
InChI=1S/C15H16N6O/c1-8(2)19-13-11-5-9(10-6-17-18-7-10)3-4-12(11)20-21-14(13)15(16)22/h3-8H,1-2H3,(H2,16,22)(H,17,18)(H,19,20)
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InChIKey
VWAQJEAWMUVOCA-UHFFFAOYSA-N
Physicochemical Property
logP
1.9391
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
109.58
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 71061025
SID: 163508911
ChEMBL ID
CHEMBL2333115
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: PT01378, Leucine-rich repeat serine/threonine-protein kinase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 109 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1 nM
2 IC50 = 5 nM