General Information of the Compound
Compound ID
CP0880169
Compound Name
(4bR,6aS,9aR)-2-Methoxy-8-methyl-5,6,6a,7,8,9,10,11-octahydro-4bH-benz[4,5]indeno[1,7a-c]pyrrole
    Show/Hide
Structure
Formula
C17H23NO
Molecular Weight
257.377
Canonical SMILES
COc1ccc2c(c1)CC[C@]13CN(C)C[C@H]1CC[C@H]23
    Show/Hide
InChI
InChI=1S/C17H23NO/c1-18-10-13-3-6-16-15-5-4-14(19-2)9-12(15)7-8-17(13,16)11-18/h4-5,9,13,16H,3,6-8,10-11H2,1-2H3/t13-,16-,17+/m1/s1
    Show/Hide
InChIKey
JYKIJLKCUNQHFV-XYPHTWIQSA-N
Physicochemical Property
logP
3.0668
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 44221712
SID: 85236378
ChEMBL ID
CHEMBL1163009
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000049 C6 Rattus norvegicus (Rat)  1
1
Ki < 1000 nM
   TI
   LI
   LO
   TS