General Information of the Compound
Compound ID
CP0352416
Compound Name
N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)benzenesulfonamide
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Structure
Formula
C26H18N2O3S
Molecular Weight
438.508
Canonical SMILES
O=c1c2cc(NS(=O)(=O)c3ccccc3)ccc2ccc2ncc(cc12)-c1ccccc1
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InChI
InChI=1S/C26H18N2O3S/c29-26-23-16-21(28-32(30,31)22-9-5-2-6-10-22)13-11-19(23)12-14-25-24(26)15-20(17-27-25)18-7-3-1-4-8-18/h1-17,28H
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InChIKey
QPITZSXYUYNGGX-UHFFFAOYSA-N
Physicochemical Property
logP
5.216
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
76.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
32

"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: 53310399
SID: 124769810
ChEMBL ID
CHEMBL1802824
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 = 9000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 390 nM