General Information of the Compound
Compound ID
CP0410032
Compound Name
5-(3-Chloro-phenyl)-1,3-dihydro-indol-2-one
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Structure
Formula
C14H10ClNO
Molecular Weight
243.693
Canonical SMILES
Clc1cccc(c1)-c1ccc2NC(=O)Cc2c1
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InChI
InChI=1S/C14H10ClNO/c15-12-3-1-2-9(7-12)10-4-5-13-11(6-10)8-14(17)16-13/h1-7H,8H2,(H,16,17)
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InChIKey
LWHARHQOLDBWIF-UHFFFAOYSA-N
Physicochemical Property
logP
3.5016
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
17

"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: 9837713
SID: 14798448
ChEMBL ID
CHEMBL117849
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 = 296 nM
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