General Information of the Compound
Compound ID
CP0242973
Compound Name
US10562854, No. F3
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Structure
Formula
C12H10ClNO2
Molecular Weight
235.67
Canonical SMILES
Oc1cccn(Cc2ccc(Cl)cc2)c1=O
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InChI
InChI=1S/C12H10ClNO2/c13-10-5-3-9(4-6-10)8-14-7-1-2-11(15)12(14)16/h1-7,15H,8H2
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InChIKey
WFROSYVMUUJSPL-UHFFFAOYSA-N
Physicochemical Property
logP
2.2556
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
42.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 52912219
SID: 123047631
ChEMBL ID
CHEMBL3649604
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: PT03142, Vascular endothelial growth factor A, long form
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 7400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 7400 nM