General Information of the Compound
Compound ID
CP0851694
Compound Name
Di-(4,5-dichloro-1H-indole-3-yl)methane
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Structure
Formula
C17H10Cl4N2
Molecular Weight
384.093
Canonical SMILES
Clc1cc(Cl)c2c(Cc3c[nH]c4cc(Cl)cc(Cl)c34)c[nH]c2c1
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InChI
InChI=1S/C17H10Cl4N2/c18-10-2-12(20)16-8(6-22-14(16)4-10)1-9-7-23-15-5-11(19)3-13(21)17(9)15/h2-7,22-23H,1H2
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InChIKey
FDGWCLHHVLNHHN-UHFFFAOYSA-N
Physicochemical Property
logP
6.8536
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
31.58
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
0
Complexity
23

"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: 137642690
ChEMBL ID
CHEMBL4087145
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: PT04383, G-protein coupled receptor 84
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 >= 10000 nM
   TI
   LI
   LO
   TS