General Information of the Compound
| Compound ID |
CP0446849
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-N-[(2R)-1-[(3S)-3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]pentanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H39ClN6O6
|
||||||||||||||||||
| Molecular Weight |
627.142
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H39ClN6O6/c1-17(2)27(35-18(3)39)30(43)36-23(12-13-26(33)40)29(42)37-24(14-19-8-10-22(32)11-9-19)31(44)38-16-21-7-5-4-6-20(21)15-25(38)28(34)41/h4-11,17,23-25,27H,12-16H2,1-3H3,(H2,33,40)(H2,34,41)(H,35,39)(H,36,43)(H,37,42)/t23-,24+,25-,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CJLWXPSNKINPJW-SFIUMABJSA-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: PT02450, Melanocortin receptor 3
Protein ID: PT01431, Melanocortin receptor 4
Protein ID: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor