General Information of the Compound
| Compound ID |
CP0462849
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8586579, 152
Show/Hide
|
||||||||||||||||||
| Formula |
C30H41N5O4S
|
||||||||||||||||||
| Molecular Weight |
567.756
|
||||||||||||||||||
| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccc(cc1)N1CCS(=O)(=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H41N5O4S/c36-30(24-3-7-26(8-4-24)34-18-21-40(37,38)22-19-34)32-25-5-1-23(2-6-25)10-13-33-14-16-35(17-15-33)29-27-11-20-39-28(27)9-12-31-29/h3-4,7-9,12,23,25H,1-2,5-6,10-11,13-22H2,(H,32,36)/t23-,25-
Show/Hide
|
||||||||||||||||||
| InChIKey |
JUAVLXRBQKTSPW-ALOJWSFFSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor