General Information of the Compound
| Compound ID |
CP0486728
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-benzyl 3-(5-(2-(1H-indol-3-yl)ethyl)-4-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl)-3-(2-amino-2-methylpropanamido)propanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H38N6O4
|
||||||||||||||||||
| Molecular Weight |
594.716
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](CC(=O)OCc2ccccc2)NC(=O)C(C)(C)N)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H38N6O4/c1-34(2,35)33(42)37-29(19-31(41)44-22-24-9-5-4-6-10-24)32-39-38-30(40(32)21-23-13-16-26(43-3)17-14-23)18-15-25-20-36-28-12-8-7-11-27(25)28/h4-14,16-17,20,29,36H,15,18-19,21-22,35H2,1-3H3,(H,37,42)/t29-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BLXGFOLBGKJINZ-GDLZYMKVSA-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