General Information of the Compound
Compound ID
CP0400351
Compound Name
7-Methyl-6,7,8,9,10,15-hexahydroindolo[2,3-f][3]benzazecine
    Show/Hide
Structure
Formula
C20H22N2
Molecular Weight
290.41
Canonical SMILES
CN1CCc2[nH]c3ccccc3c2Cc2ccccc2CC1
    Show/Hide
InChI
InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-18-17-8-4-5-9-19(17)21-20(18)11-13-22/h2-9,21H,10-14H2,1H3
    Show/Hide
InChIKey
CYMMDQPIVHDAPZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.7891
Rotatable Bonds
0
Heavy Atom Count
22
Polar Areas
19.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
22

"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: 45379370
SID: 93370940
ChEMBL ID
CHEMBL1087301
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: PT01195, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 28.5 nM
   TI
   LI
   LO
   TS
Protein ID: PT01169, D(1B) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 10.3 nM
   TI
   LI
   LO
   TS
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 55.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 513 nM
   TI
   LI
   LO
   TS
Protein ID: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 225 nM
   TI
   LI
   LO
   TS