General Information of the Compound
| Compound ID |
CP0475559
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1R)-1-[5-[(1R)-1-acetamido-2-phenylethyl]-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]-3-fluoropyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H34FN7O3
|
||||||||||||||||||
| Molecular Weight |
631.712
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H34FN7O3/c1-23(45)40-31(19-24-9-4-3-5-10-24)34-42-43-35(44(34)22-25-14-16-27(47-2)17-15-25)32(41-36(46)33-29(37)12-8-18-38-33)20-26-21-39-30-13-7-6-11-28(26)30/h3-18,21,31-32,39H,19-20,22H2,1-2H3,(H,40,45)(H,41,46)/t31-,32-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XDUYYVYSUSRUMY-ROJLCIKYSA-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: PT01155, Growth hormone secretagogue receptor type 1