General Information of the Compound
| Compound ID |
CP0533811
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R)-1-[(4S)-3-(1-adamantylmethyl)-1-[(1R)-1-[(2S)-2-[[(5R)-2-amino-5-(2-methylpropyl)-4,5-dihydroimidazol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethyl]-2-iminoimidazolidin-4-yl]ethanol
Show/Hide
|
||||||||||||||||||
| Formula |
C36H57N7O
|
||||||||||||||||||
| Molecular Weight |
603.9
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H57N7O/c1-24(2)12-31-20-39-34(37)41(31)21-30-10-7-11-40(30)33(16-26-8-5-4-6-9-26)42-22-32(25(3)44)43(35(42)38)23-36-17-27-13-28(18-36)15-29(14-27)19-36/h4-6,8-9,24-25,27-33,38,44H,7,10-23H2,1-3H3,(H2,37,39)/t25-,27?,28?,29?,30+,31-,32+,33-,36?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IICLHPWHGDSZHB-MZMRVWRASA-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 | |||||||||||||||||||
| 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