General Information of the Compound
| Compound ID |
CP0408646
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(dimethylamino)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H41ClN6O2
|
||||||||||||||||||
| Molecular Weight |
529.129
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H41ClN6O2/c1-33(2)15-12-26(36)32-25(18-22-8-10-24(29)11-9-22)27(37)34-16-13-28(14-17-34,19-35-21-30-20-31-35)23-6-4-3-5-7-23/h8-11,20-21,23,25H,3-7,12-19H2,1-2H3,(H,32,36)/t25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PULMVELKNAGMQU-RUZDIDTESA-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: PT00914, Melanocortin receptor 4