General Information of the Compound
Compound ID
CP0050471
Compound Name
N-[5-(furan-3-yl)-2-oxo-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
C19H14N2O4S
Molecular Weight
366.398
Canonical SMILES
CS(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1ccoc1
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InChI
InChI=1S/C19H14N2O4S/c1-26(23,24)21-15-4-2-12-3-5-18-17(19(22)16(12)9-15)8-14(10-20-18)13-6-7-25-11-13/h2-11,21H,1H3
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InChIKey
XRRQCPBNRJQAMX-UHFFFAOYSA-N
Physicochemical Property
logP
3.3797
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
89.27
Hydrogen Bond Donor Count
1
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: 15981140
SID: 24260055
ChEMBL ID
CHEMBL1802598
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 = 5500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 64 nM