General Information of the Compound
Compound ID
CP0560775
Compound Name
[6-(dimethylamino)-1H-indol-2-yl]-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
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Formula
C23H24N4O2
Molecular Weight
388.471
Canonical SMILES
COc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)c1cc2ccc(cc2[nH]1)N(C)C
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InChI
InChI=1S/C23H24N4O2/c1-26(2)15-5-4-14-10-22(25-21(14)11-15)23(28)27-9-8-20-18(13-27)17-12-16(29-3)6-7-19(17)24-20/h4-7,10-12,24-25H,8-9,13H2,1-3H3
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InChIKey
WTJWHAFNDUCEEO-UHFFFAOYSA-N
Physicochemical Property
logP
3.9223
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
64.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
29

"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
CHEMBL4799939
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: PT02042, Cystic fibrosis transmembrane conductance regulator
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000259 FRT Rattus norvegicus (Rat)  1
1
EC50 = 150 nM
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