General Information of the Compound
Compound ID
CP0965991
Compound Name
SID92763899
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Structure
Formula
C13H8FNO
Molecular Weight
213.211
Canonical SMILES
ON=C1c2ccccc2-c2ccc(F)cc21
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InChI
InChI=1S/C13H8FNO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15-16)12(10)7-8/h1-7,16H
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InChIKey
SGBFKSKVPJDHGB-UHFFFAOYSA-N
Physicochemical Property
logP
3.0327
Rotatable Bonds
0
Heavy Atom Count
16
Polar Areas
32.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 265036
ChEMBL ID
CHEMBL1897480
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: PT06172, Mothers against decapentaplegic homolog 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
Potency ~ 9200 nM
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