General Information of the Compound
| Compound ID |
CP0466894
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(R)-2-[((1S,2S)-1-Amino-1-methyl-1,2,3,4-tetrahydro-naphthalene-2-carbonyl)-amino]-3-(4-chloro-phenyl)-propionyl]-4-cyclohexyl-piperidine-4-carboxylic acid tert-butylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H51ClN4O3
|
||||||||||||||||||
| Molecular Weight |
635.293
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@@]1(C)N)C1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H51ClN4O3/c1-35(2,3)41-34(45)37(27-11-6-5-7-12-27)20-22-42(23-21-37)33(44)31(24-25-14-17-28(38)18-15-25)40-32(43)30-19-16-26-10-8-9-13-29(26)36(30,4)39/h8-10,13-15,17-18,27,30-31H,5-7,11-12,16,19-24,39H2,1-4H3,(H,40,43)(H,41,45)/t30-,31-,36-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NMZQXNVSJCWFFD-PCJZJSDKSA-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