General Information of the Compound
Compound ID
CP0462103
Compound Name
methyl 2-[(4-cyclopentyloxyphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoate
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Structure
Formula
C23H26N2O5S
Molecular Weight
442.537
Canonical SMILES
COC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(OC2CCCC2)cc1
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InChI
InChI=1S/C23H26N2O5S/c1-29-23(26)22(14-16-15-24-21-9-5-4-8-20(16)21)25-31(27,28)19-12-10-18(11-13-19)30-17-6-2-3-7-17/h4-5,8-13,15,17,22,24-25H,2-3,6-7,14H2,1H3
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InChIKey
DRCFPAGSKHGZEF-UHFFFAOYSA-N
Physicochemical Property
logP
3.5519
Rotatable Bonds
8
Heavy Atom Count
31
Polar Areas
97.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 72205494
ChEMBL ID
CHEMBL2440407
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: PT02768, Potassium voltage-gated channel subfamily A member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2380 nM
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   LI
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   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 9560 nM
   TI
   LI
   LO
   TS