General Information of the Compound
| Compound ID |
CP0373165
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-amino-N-(1-(2-(4-(3-(2,4-dichlorophenyl)propanoyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)-3-methylbutyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H33Cl2F3N4O2
|
||||||||||||||||||
| Molecular Weight |
573.487
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)CN)c1cc(ccc1N1CCN(CC1)C(=O)CCc1ccc(Cl)cc1Cl)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33Cl2F3N4O2/c1-17(2)13-23(34-25(37)16-33)21-14-19(27(30,31)32)5-7-24(21)35-9-11-36(12-10-35)26(38)8-4-18-3-6-20(28)15-22(18)29/h3,5-7,14-15,17,23H,4,8-13,16,33H2,1-2H3,(H,34,37)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JKCHNCUBXBYAJL-QHCPKHFHSA-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: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5