General Information of the Compound
Compound ID
CP0540334
Compound Name
N-(5-hydroxypentyl)-1H-indole-2-carboxamide
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Structure
Formula
C14H18N2O2
Molecular Weight
246.31
Canonical SMILES
OCCCCCNC(=O)c1cc2ccccc2[nH]1
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InChI
InChI=1S/C14H18N2O2/c17-9-5-1-4-8-15-14(18)13-10-11-6-2-3-7-12(11)16-13/h2-3,6-7,10,16-17H,1,4-5,8-9H2,(H,15,18)
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InChIKey
PWUHKBNTTLYPGB-UHFFFAOYSA-N
Physicochemical Property
logP
2.0603
Rotatable Bonds
6
Heavy Atom Count
18
Polar Areas
65.12
Hydrogen Bond Donor Count
3
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: 11637363
SID: 16740552
ChEMBL ID
CHEMBL2413854
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: PT02692, Aldo-keto reductase family 1 member C3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1200 nM
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