General Information of the Compound
Compound ID
CP0523776
Compound Name
3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)carbazole-9-carboxamide
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Structure
Formula
C27H25N3O
Molecular Weight
407.517
Canonical SMILES
NC(=O)n1c2ccccc2c2cc(CN3CCC4(CC3)C=Cc3ccccc43)ccc12
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InChI
InChI=1S/C27H25N3O/c28-26(31)30-24-8-4-2-6-21(24)22-17-19(9-10-25(22)30)18-29-15-13-27(14-16-29)12-11-20-5-1-3-7-23(20)27/h1-12,17H,13-16,18H2,(H2,28,31)
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InChIKey
ZCEIJEMGJDGCGW-UHFFFAOYSA-N
Physicochemical Property
logP
5.2819
Rotatable Bonds
2
Heavy Atom Count
31
Polar Areas
51.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
31

"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: 10046992
SID: 15030441
ChEMBL ID
CHEMBL1934112
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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