General Information of the Compound
Compound ID
CP0430958
Compound Name
(2,2-Dichloro-1-methylcyclopropyl)(1-(2-morpholinoethyl)-1Hindol-3-yl)methanone
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Structure
Formula
C19H22Cl2N2O2
Molecular Weight
381.303
Canonical SMILES
CC1(CC1(Cl)Cl)C(=O)c1cn(CCN2CCOCC2)c2ccccc12
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InChI
InChI=1S/C19H22Cl2N2O2/c1-18(13-19(18,20)21)17(24)15-12-23(16-5-3-2-4-14(15)16)7-6-22-8-10-25-11-9-22/h2-5,12H,6-11,13H2,1H3
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InChIKey
HJXCSZMIFFJCCI-UHFFFAOYSA-N
Physicochemical Property
logP
3.7401
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
34.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 44627983
SID: 87555174
ChEMBL ID
CHEMBL583472
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 716 nM
   TI
   LI
   LO
   TS
2
Ki > 1000 nM
   TI
   LI
   LO
   TS