General Information of the Compound
Compound ID
CP0380953
Compound Name
N-[(2-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]quinolin-7-amine
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Structure
Formula
C25H20ClN3
Molecular Weight
397.909
Canonical SMILES
Cc1[nH]c2ccccc2c1C(Nc1ccc2cccnc2c1)c1ccccc1Cl
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InChI
InChI=1S/C25H20ClN3/c1-16-24(20-9-3-5-11-22(20)28-16)25(19-8-2-4-10-21(19)26)29-18-13-12-17-7-6-14-27-23(17)15-18/h2-15,25,28-29H,1H3
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InChIKey
ABPYDSKSJBXRHY-UHFFFAOYSA-N
Physicochemical Property
logP
6.87942
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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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PubChem ID
CID: 76324861
ChEMBL ID
CHEMBL3109617
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: PT02378, Vitamin D3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 > 25000 nM
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