General Information of the Compound
| Compound ID |
CP0463737
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[propyl-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]amino]butyl]-1H-indole-2-carboxamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H33ClF3N3O
|
||||||||||||||||||
| Molecular Weight |
508.028
|
||||||||||||||||||
| Canonical SMILES |
Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32F3N3O.ClH/c1-2-14-33(18-21-16-23(21)19-9-11-22(12-10-19)27(28,29)30)15-6-5-13-31-26(34)25-17-20-7-3-4-8-24(20)32-25;/h3-4,7-12,17,21,23,32H,2,5-6,13-16,18H2,1H3,(H,31,34);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
VKQPVZHQHUZUHN-UHFFFAOYSA-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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor