General Information of the Compound
Compound ID
CP0496020
Compound Name
1'-[3-(9-ethylcarbazol-3-yl)propyl]spiro[indene-1,4'-piperidine]
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Structure
Formula
C30H32N2
Molecular Weight
420.6
Canonical SMILES
CCn1c2ccccc2c2cc(CCCN3CCC4(CC3)C=Cc3ccccc43)ccc12
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InChI
InChI=1S/C30H32N2/c1-2-32-28-12-6-4-10-25(28)26-22-23(13-14-29(26)32)8-7-19-31-20-17-30(18-21-31)16-15-24-9-3-5-11-27(24)30/h3-6,9-16,22H,2,7-8,17-21H2,1H3
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InChIKey
NSXNLISSDBXWQB-UHFFFAOYSA-N
Physicochemical Property
logP
6.8076
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
8.17
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
32

"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: 57396733
ChEMBL ID
CHEMBL1934104
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 = 15000 nM
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