General Information of the Compound
Compound ID
CP0286303
Compound Name
6,7,8,9,10,15-hexahydro-5H-dibenzo[d,g]azacycloundecin-12-ol
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Structure
Formula
C18H21NO
Molecular Weight
267.372
Canonical SMILES
Oc1ccc2Cc3ccccc3CCNCCCc2c1
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InChI
InChI=1S/C18H21NO/c20-18-8-7-17-12-15-5-2-1-4-14(15)9-11-19-10-3-6-16(17)13-18/h1-2,4-5,7-8,13,19-20H,3,6,9-12H2
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InChIKey
WQWCHMWUOFCWFU-UHFFFAOYSA-N
Physicochemical Property
logP
3.0613
Rotatable Bonds
0
Heavy Atom Count
20
Polar Areas
32.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 17755991
SID: 29213861
ChEMBL ID
CHEMBL396950
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: 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 = 314 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 = 857 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 6896 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 = 4256 nM
   TI
   LI
   LO
   TS