General Information of the Compound
| Compound ID |
CP0378563
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-amino-N-(1-(4-(furan-2-ylmethyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-methylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H32N6O2
|
||||||||||||||||||
| Molecular Weight |
496.615
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32N6O2/c1-29(2,30)28(36)32-25(17-21-18-31-24-13-7-6-12-23(21)24)27-34-33-26(15-14-20-9-4-3-5-10-20)35(27)19-22-11-8-16-37-22/h3-13,16,18,25,31H,14-15,17,19,30H2,1-2H3,(H,32,36)/t25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XNTQSXSHCYEQKO-RUZDIDTESA-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