General Information of the Compound
Compound ID
CP0959038
Compound Name
SID92764493
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Structure
Formula
C15H12FNO
Molecular Weight
241.265
Canonical SMILES
CC(=O)Nc1ccc2c(c1)-c1ccc(F)cc1C2
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InChI
InChI=1S/C15H12FNO/c1-9(18)17-13-4-2-10-6-11-7-12(16)3-5-14(11)15(10)8-13/h2-5,7-8H,6H2,1H3,(H,17,18)
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InChIKey
ZLPPGLGRDSLEBU-UHFFFAOYSA-N
Physicochemical Property
logP
3.3553
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
18

"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: 269050
ChEMBL ID
CHEMBL1900971
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 ~ 29092.9 nM
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