General Information of the Compound
Compound ID
CP0292159
Compound Name
N-(2-oxo-5-pyridin-4-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide
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Structure
Formula
C20H15N3O3S
Molecular Weight
377.425
Canonical SMILES
CS(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1ccncc1
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InChI
InChI=1S/C20H15N3O3S/c1-27(25,26)23-16-4-2-14-3-5-19-18(20(24)17(14)11-16)10-15(12-22-19)13-6-8-21-9-7-13/h2-12,23H,1H3
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InChIKey
MZDWDIHAUKHDJF-UHFFFAOYSA-N
Physicochemical Property
logP
3.1817
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
89.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 15981107
SID: 24260022
ChEMBL ID
CHEMBL1802595
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: PT01201, Hepatocyte growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000282 GTL-16 Homo sapiens (Human)  1
1
IC50 = 750 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 30 nM