General Information of the Compound
Compound ID
CP0188914
Compound Name
UNC10099984
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Structure
Formula
C24H29Cl2N3O2
Molecular Weight
462.421
Canonical SMILES
Clc1cccc(N2CCCN(CCCCOc3ccc4CCNC(=O)c4c3)CC2)c1Cl
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InChI
InChI=1S/C24H29Cl2N3O2/c25-21-5-3-6-22(23(21)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-8-7-18-9-10-27-24(30)20(18)17-19/h3,5-8,17H,1-2,4,9-16H2,(H,27,30)
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InChIKey
HDTSSQFZHKNWGP-UHFFFAOYSA-N
Physicochemical Property
logP
4.6506
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
44.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 56598210
SID: 134331720
ChEMBL ID
CHEMBL3943838
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 = 6.2 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 9870 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 4.6 nM