General Information of the Compound
Compound ID
CP0350406
Compound Name
2-(2-Chloro-phenyl)-benzo[h]chromen-4-one
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Structure
Formula
C19H11ClO2
Molecular Weight
306.748
Canonical SMILES
Clc1ccccc1-c1cc(=O)c2ccc3ccccc3c2o1
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InChI
InChI=1S/C19H11ClO2/c20-16-8-4-3-7-14(16)18-11-17(21)15-10-9-12-5-1-2-6-13(12)19(15)22-18/h1-11H
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InChIKey
ATYSZLHAEGYNES-UHFFFAOYSA-N
Physicochemical Property
logP
5.2666
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
30.21
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 11266772
SID: 16352819
ChEMBL ID
CHEMBL175450
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: PT00955, DNA-dependent protein kinase catalytic subunit
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS