General Information of the Compound
Compound ID
CP0262669
Compound Name
N-(2-oxo-5-piperidin-1-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
C20H21N3O3S
Molecular Weight
383.473
Canonical SMILES
CS(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)N1CCCCC1
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InChI
InChI=1S/C20H21N3O3S/c1-27(25,26)22-15-7-5-14-6-8-19-18(20(24)17(14)11-15)12-16(13-21-19)23-9-3-2-4-10-23/h5-8,11-13,22H,2-4,9-10H2,1H3
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InChIKey
BFGPCWYLULJFQP-UHFFFAOYSA-N
Physicochemical Property
logP
3.11
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
79.37
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: 53310119
SID: 124769506
ChEMBL ID
CHEMBL1802585
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 = 1100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 93 nM