General Information of the Compound
Compound ID
CP0204006
Compound Name
4-aminocinnoline-3-carboxamide
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Structure
Formula
C9H8N4O
Molecular Weight
188.19
Canonical SMILES
NC(=O)c1nnc2ccccc2c1N
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InChI
InChI=1S/C9H8N4O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,10,12)(H2,11,14)
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InChIKey
FCYPWSQPDXUBPV-UHFFFAOYSA-N
Physicochemical Property
logP
0.3109
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
94.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
14

"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: 2814562
ChEMBL ID
CHEMBL449216
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: PT01308, Tyrosine-protein kinase BTK
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000174 Raji Homo sapiens (Human)  1
1
IC50 = 3500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3162.28 nM