General Information of the Compound
Compound ID
CP0050473
Compound Name
N-(5-morpholin-4-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
C19H19N3O4S
Molecular Weight
385.445
Canonical SMILES
CS(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)N1CCOCC1
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InChI
InChI=1S/C19H19N3O4S/c1-27(24,25)21-14-4-2-13-3-5-18-17(19(23)16(13)10-14)11-15(12-20-18)22-6-8-26-9-7-22/h2-5,10-12,21H,6-9H2,1H3
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InChIKey
NENQLFCGPDUKQZ-UHFFFAOYSA-N
Physicochemical Property
logP
1.9563
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
88.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 16035634
SID: 24418211
ChEMBL ID
CHEMBL1802586
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 = 2000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 46 nM