General Information of the Compound
Compound ID
CP0375308
Compound Name
3-(3-hydroxyphenyl)-1H-pyrrolo[3,4-f]indole-5,7-dione
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Structure
Formula
C16H10N2O3
Molecular Weight
278.267
Canonical SMILES
Oc1cccc(c1)-c1c[nH]c2cc3C(=O)NC(=O)c3cc12
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InChI
InChI=1S/C16H10N2O3/c19-9-3-1-2-8(4-9)13-7-17-14-6-12-11(5-10(13)14)15(20)18-16(12)21/h1-7,17,19H,(H,18,20,21)
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InChIKey
GXANGPSTEUHEEY-UHFFFAOYSA-N
Physicochemical Property
logP
2.4241
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
82.19
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 57403707
ChEMBL ID
CHEMBL1922468
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 = 3470 nM
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