General Information of the Compound
| Compound ID |
CP0511019
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 4-[[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-[4-(1H-indol-3-yl)butanoyl]amino]methyl]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H45N3O3
|
||||||||||||||||||
| Molecular Weight |
543.752
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H45N3O3/c1-40-34(39)27-15-9-26(10-16-27)23-37(30-19-13-25(14-20-30)21-24-11-17-29(35)18-12-24)33(38)8-4-5-28-22-36-32-7-3-2-6-31(28)32/h2-3,6-7,9-10,15-16,22,24-25,29-30,36H,4-5,8,11-14,17-21,23,35H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QRZCPURBJCFYFS-UHFFFAOYSA-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: PT01440, Melanocyte-stimulating hormone receptor