General Information of the Compound
Compound ID
CP0427413
Compound Name
N,N-dimethyl-3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)carbazole-9-carboxamide
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Structure
Formula
C29H29N3O
Molecular Weight
435.571
Canonical SMILES
CN(C)C(=O)n1c2ccccc2c2cc(CN3CCC4(CC3)C=Cc3ccccc43)ccc12
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InChI
InChI=1S/C29H29N3O/c1-30(2)28(33)32-26-10-6-4-8-23(26)24-19-21(11-12-27(24)32)20-31-17-15-29(16-18-31)14-13-22-7-3-5-9-25(22)29/h3-14,19H,15-18,20H2,1-2H3
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InChIKey
HWKGQRBHDHPWGR-UHFFFAOYSA-N
Physicochemical Property
logP
5.8848
Rotatable Bonds
2
Heavy Atom Count
33
Polar Areas
28.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
33

"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: 10455647
SID: 15477415
ChEMBL ID
CHEMBL1934109
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: PT02767, Melanin-concentrating hormone receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 4 nM
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