General Information of the Compound
Compound ID
CP0533035
Compound Name
N-(9-ethylcarbazol-3-yl)spiro[indene-1,4'-piperidine]-1'-carboxamide
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Structure
Formula
C28H27N3O
Molecular Weight
421.544
Canonical SMILES
CCn1c2ccccc2c2cc(NC(=O)N3CCC4(CC3)C=Cc3ccccc43)ccc12
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InChI
InChI=1S/C28H27N3O/c1-2-31-25-10-6-4-8-22(25)23-19-21(11-12-26(23)31)29-27(32)30-17-15-28(16-18-30)14-13-20-7-3-5-9-24(20)28/h3-14,19H,2,15-18H2,1H3,(H,29,32)
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InChIKey
LMDHVXCUABOUPW-UHFFFAOYSA-N
Physicochemical Property
logP
6.4069
Rotatable Bonds
2
Heavy Atom Count
32
Polar Areas
37.27
Hydrogen Bond Donor Count
1
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: 57401966
ChEMBL ID
CHEMBL1934106
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 = 60000 nM
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