General Information of the Compound
Compound ID
CP0102434
Compound Name
B-HT 920
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Synonyms
101626-70-4
4H-Thiazolo[4,5-d]azepin-2-amine,5,6,7,8-tetrahydro-6-(2-propen-1-yl)-
6-Allyl-2-amino-5,6,7,8-tetrahydro-4H-thiazolo(4,5-d)azepine
6-allyl-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepin-2-amine
6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
7AM2J46Z1Y
BHT920
CHEMBL279085
DSSTox_CID_26321
DSSTox_GSID_46321
DSSTox_RID_81537
Domin
NCGC00163160-01
Talipexol
Talipexol [Spanish]
Talipexole
Talipexole (INN)
Talipexole [INN]
Talipexolum
Talipexolum [Latin]
UNII-7AM2J46Z1Y
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Structure
Formula
C10H15N3S
Molecular Weight
209.318
Canonical SMILES
Nc1nc2CCN(CC=C)CCc2s1
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InChI
InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
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InChIKey
DHSSDEDRBUKTQY-UHFFFAOYSA-N
CAS
101626-70-4
Physicochemical Property
logP
1.3119
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
42.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
14

"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: 5374
SID: 15195713
ChEMBL ID
CHEMBL279085
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 616.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 67.61 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Talipexole )
Drug Name Talipexole
Target(s)
Dopamine D2 receptor (D2R)
 Target Info 
Agonist