General Information of the Compound
| Compound ID |
CP0445313
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H34N6OS
|
||||||||||||||||||
| Molecular Weight |
466.655
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCN1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)[C@H]1CCc2nc(N)sc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H34N6OS/c1-2-9-30(20-4-6-22-23(17-20)33-25(26)28-22)13-10-29-11-14-31(15-12-29)24(32)19-3-5-21-18(16-19)7-8-27-21/h3,5,7-8,16,20,27H,2,4,6,9-15,17H2,1H3,(H2,26,28)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OXCQNGTWPIHFHI-FQEVSTJZSA-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: PT00957, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor