General Information of the Compound
Compound ID
CP0439969
Compound Name
9-methoxy-2,11-dimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole
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Structure
Formula
C18H24N2O
Molecular Weight
284.403
Canonical SMILES
COc1ccc2[nH]c3CC4CCN(C)CC4C(C)c3c2c1
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InChI
InChI=1S/C18H24N2O/c1-11-15-10-20(2)7-6-12(15)8-17-18(11)14-9-13(21-3)4-5-16(14)19-17/h4-5,9,11-12,15,19H,6-8,10H2,1-3H3
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InChIKey
CMJIUAWGDXZMDY-UHFFFAOYSA-N
Physicochemical Property
logP
3.404
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
28.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 57400241
ChEMBL ID
CHEMBL1922256
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: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000001 Jurkat Homo sapiens (Human)  1
1
IC50 = 400 nM
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