General Information of the Compound
| Compound ID |
CP0415759
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{2-[(1S)-(Methylaminoacetamido)-2-methylpropyl]-6-fluorophenyl}-4-[(2R)-methyl-3-(2-methoxy-4-chlorophenyl)propionyl]piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H38ClFN4O3
|
||||||||||||||||||
| Molecular Weight |
533.088
|
||||||||||||||||||
| Canonical SMILES |
CNCC(=O)N[C@@H](C(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H38ClFN4O3/c1-18(2)26(32-25(35)17-31-4)22-7-6-8-23(30)27(22)33-11-13-34(14-12-33)28(36)19(3)15-20-9-10-21(29)16-24(20)37-5/h6-10,16,18-19,26,31H,11-15,17H2,1-5H3,(H,32,35)/t19-,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IPSFANQKYGITFT-BCHFMIIMSA-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