General Information of the Compound
| Compound ID |
CP0495900
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((2-oxoimidazolidin-1-yl)methyl)piperidin-1-yl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H44ClN5O3
|
||||||||||||||||||
| Molecular Weight |
606.211
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCNC3=O)(CC2)C2CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H44ClN5O3/c35-28-12-10-24(11-13-28)20-30(38-31(41)29-21-25-6-4-5-7-26(25)22-37-29)32(42)39-17-14-34(15-18-39,27-8-2-1-3-9-27)23-40-19-16-36-33(40)43/h4-7,10-13,27,29-30,37H,1-3,8-9,14-23H2,(H,36,43)(H,38,41)/t29-,30-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BBYTXRAQNPWSMC-LOYHVIPDSA-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
Protein ID: PT00911, Melanocyte-stimulating hormone receptor