General Information of the Compound
Compound ID
CP0403316
Compound Name
3-phenyl-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole
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Structure
Formula
C20H20N2
Molecular Weight
288.394
Canonical SMILES
C1CC(N2CCc3c([nH]c4ccccc34)C12)c1ccccc1
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InChI
InChI=1S/C20H20N2/c1-2-6-14(7-3-1)18-10-11-19-20-16(12-13-22(18)19)15-8-4-5-9-17(15)21-20/h1-9,18-19,21H,10-13H2
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InChIKey
JIOFRZLMAPMCJC-UHFFFAOYSA-N
Physicochemical Property
logP
4.6022
Rotatable Bonds
1
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).

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PubChem ID
CID: 11558324
SID: 16660546
ChEMBL ID
CHEMBL383102
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 > 10000 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 > 10000 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 > 10000 nM
   TI
   LI
   LO
   TS