General Information of the Compound
Compound ID
CP0100988
Compound Name
6-(3-Chloro-phenyl)-1-methyl-1,3-dihydro-benzoimidazol-2-one
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Structure
Formula
C14H11ClN2O
Molecular Weight
258.708
Canonical SMILES
Cn1c2cc(ccc2[nH]c1=O)-c1cccc(Cl)c1
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InChI
InChI=1S/C14H11ClN2O/c1-17-13-8-10(5-6-12(13)16-14(17)18)9-3-2-4-11(15)7-9/h2-8H,1H3,(H,16,18)
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InChIKey
FGNYMMLWFUHMRU-UHFFFAOYSA-N
Physicochemical Property
logP
3.187
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
37.79
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 10220791
SID: 15221469
ChEMBL ID
CHEMBL330271
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: PT01172, Progesterone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000078 T-47D Homo sapiens (Human)  1
1
IC50 = 1000 nM
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