General Information of the Compound
Compound ID
CP0329148
Compound Name
UNC10099985
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Structure
Formula
C24H28Cl2N2O2
Molecular Weight
447.406
Canonical SMILES
Clc1cccc(C2CCN(CCCCOc3ccc4CCNC(=O)c4c3)CC2)c1Cl
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InChI
InChI=1S/C24H28Cl2N2O2/c25-22-5-3-4-20(23(22)26)18-9-13-28(14-10-18)12-1-2-15-30-19-7-6-17-8-11-27-24(29)21(17)16-19/h3-7,16,18H,1-2,8-15H2,(H,27,29)
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InChIKey
HVXBMABYUWVXDA-UHFFFAOYSA-N
Physicochemical Property
logP
5.3179
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 56597093
SID: 134330582
ChEMBL ID
CHEMBL3898054
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: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000883 HTLA Homo sapiens (Human)  1
1
EC50 = 64 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 20 nM