General Information of the Compound
| Compound ID |
CP0495968
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-N-[(1R)-1-[4,5-bis(2-phenylethyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H36N6O
|
||||||||||||||||||
| Molecular Weight |
520.681
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1CCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H36N6O/c1-32(2,33)31(39)35-28(21-25-22-34-27-16-10-9-15-26(25)27)30-37-36-29(18-17-23-11-5-3-6-12-23)38(30)20-19-24-13-7-4-8-14-24/h3-16,22,28,34H,17-21,33H2,1-2H3,(H,35,39)/t28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DFVSHMIWUKJRKV-MUUNZHRXSA-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