General Information of the Compound
Compound ID
CP0437020
Compound Name
(R)-7,8-dichloro-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2H)-one
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Structure
Formula
C11H10Cl2N2O
Molecular Weight
257.12
Canonical SMILES
Clc1ccc2[C@@H]3CNCCN3C(=O)c2c1Cl
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InChI
InChI=1S/C11H10Cl2N2O/c12-7-2-1-6-8-5-14-3-4-15(8)11(16)9(6)10(7)13/h1-2,8,14H,3-5H2/t8-/m0/s1
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InChIKey
LGWMDPQPQYEPII-QMMMGPOBSA-N
Physicochemical Property
logP
2.0935
Rotatable Bonds
0
Heavy Atom Count
16
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 11737939
ChEMBL ID
CHEMBL220900
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  2
1
EC50 > 1000 nM
   TI
   LI
   LO
   TS
2
Ki = 383 nM
   TI
   LI
   LO
   TS
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  2
1
EC50 = 57 nM
   TI
   LI
   LO
   TS
2
Ki = 70 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  2
1
EC50 = 20 nM
   TI
   LI
   LO
   TS
2
Ki = 107 nM
   TI
   LI
   LO
   TS