General Information of the Compound
| Compound ID |
CP0454071
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(1-(5-(2-(1H-indol-3-yl)ethyl)-4-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl)-2-(benzyloxy)ethyl)-2-amino-2-methylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H38N6O3
|
||||||||||||||||||
| Molecular Weight |
566.706
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H38N6O3/c1-33(2,34)32(40)36-29(22-42-21-24-9-5-4-6-10-24)31-38-37-30(39(31)20-23-13-16-26(41-3)17-14-23)18-15-25-19-35-28-12-8-7-11-27(25)28/h4-14,16-17,19,29,35H,15,18,20-22,34H2,1-3H3,(H,36,40)/t29-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GGHYZCHEJDJXCA-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