General Information of the Compound
Compound ID
CP0448507
Compound Name
6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
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Structure
Formula
C10H17N3S
Molecular Weight
211.334
Canonical SMILES
CCCNC1CCc2nc(N)sc2C1
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InChI
InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)
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InChIKey
FASDKYOPVNHBLU-UHFFFAOYSA-N
Physicochemical Property
logP
1.5822
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
50.94
Hydrogen Bond Donor Count
2
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: 4885
SID: 15195747
ChEMBL ID
CHEMBL76399
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: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 10 nM
   TI
   LI
   LO
   TS