General Information of the Compound
| Compound ID |
CP0402681
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(-)-(S)-N6-Propyl-N6-(2-(4-(quinolin-4-yl)piperazin-1-yl)ethyl)-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H34N6S
|
||||||||||||||||||
| Molecular Weight |
450.656
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCN1CCN(CC1)c1ccnc2ccccc12)[C@H]1CCc2nc(N)sc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H34N6S/c1-2-11-30(19-7-8-22-24(18-19)32-25(26)28-22)15-12-29-13-16-31(17-14-29)23-9-10-27-21-6-4-3-5-20(21)23/h3-6,9-10,19H,2,7-8,11-18H2,1H3,(H2,26,28)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZYOHPRMTOCMZRK-IBGZPJMESA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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 ID: PT00943, D(3) dopamine receptor