General Information of the Compound
Compound ID
CP0388003
Compound Name
(2S)-1'-(9H-carbazol-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
    Show/Hide
Structure
Formula
C26H26N2O
Molecular Weight
382.507
Canonical SMILES
O[C@H]1Cc2ccccc2C11CCN(Cc2ccc3[nH]c4ccccc4c3c2)CC1
    Show/Hide
InChI
InChI=1S/C26H26N2O/c29-25-16-19-5-1-3-7-22(19)26(25)11-13-28(14-12-26)17-18-9-10-24-21(15-18)20-6-2-4-8-23(20)27-24/h1-10,15,25,27,29H,11-14,16-17H2/t25-/m0/s1
    Show/Hide
InChIKey
YFFSPSDGYBLKMB-VWLOTQADSA-N
Physicochemical Property
logP
4.7719
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
39.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
29

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 57400178
ChEMBL ID
CHEMBL1934117
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 = 80 nM
   TI
   LI
   LO
   TS