General Information of the Compound
| Compound ID |
CP0451764
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3941190
Show/Hide
|
||||||||||||||||||
| Formula |
C24H31N5O2S
|
||||||||||||||||||
| Molecular Weight |
453.612
|
||||||||||||||||||
| Canonical SMILES |
Nc1ccc2c(nsc2c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccco2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31N5O2S/c25-18-5-8-20-22(16-18)32-27-23(20)29-13-11-28(12-14-29)10-9-17-3-6-19(7-4-17)26-24(30)21-2-1-15-31-21/h1-2,5,8,15-17,19H,3-4,6-7,9-14,25H2,(H,26,30)/t17-,19-
Show/Hide
|
||||||||||||||||||
| InChIKey |
RXFOCVABFXYDPB-UAPYVXQJSA-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 | |||||||||||||||||||
| 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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor