General Information of the Compound
Compound ID
CP0525083
Compound Name
3-(3-hydroxyphenyl)-1H-indole-5-carboxamide
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Structure
Formula
C15H12N2O2
Molecular Weight
252.273
Canonical SMILES
NC(=O)c1ccc2[nH]cc(-c3cccc(O)c3)c2c1
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InChI
InChI=1S/C15H12N2O2/c16-15(19)10-4-5-14-12(7-10)13(8-17-14)9-2-1-3-11(18)6-9/h1-8,17-18H,(H2,16,19)
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InChIKey
XBGHGUGFJFWTAY-UHFFFAOYSA-N
Physicochemical Property
logP
2.6394
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
79.11
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 57403706
ChEMBL ID
CHEMBL1922467
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: PT01381, Serine/threonine-protein kinase B-raf
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 10000 nM
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