General Information of the Compound
Compound ID
CP0766081
Compound Name
SID22415655
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Structure
Formula
C16H11ClFNO
Molecular Weight
287.721
Canonical SMILES
O=Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12
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InChI
InChI=1S/C16H11ClFNO/c17-15-7-13(18)6-5-11(15)8-19-9-12(10-20)14-3-1-2-4-16(14)19/h1-7,9-10H,8H2
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InChIKey
OMEHTJZBGICJMA-UHFFFAOYSA-N
Physicochemical Property
logP
4.2946
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
22
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 775589
ChEMBL ID
CHEMBL1350777
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 ~ 5173.5 nM
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