General Information of the Compound
Compound ID
CP0551558
Compound Name
7-(1H-indol-3-yl)quinazoline
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Formula
C16H11N3
Molecular Weight
245.285
Canonical SMILES
c1[nH]c2ccccc2c1-c1ccc2cncnc2c1
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InChI
InChI=1S/C16H11N3/c1-2-4-15-13(3-1)14(9-18-15)11-5-6-12-8-17-10-19-16(12)7-11/h1-10,18H
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InChIKey
RQHBSKLTBOAVOK-UHFFFAOYSA-N
Physicochemical Property
logP
3.7781
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
41.57
Hydrogen Bond Donor Count
1
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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ChEMBL ID
CHEMBL4847184
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: PT02896, Tryptophan 2,3-dioxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000784 P815B Mus musculus (Mouse)  1
1
IC50 = 490 nM
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