General Information of the Compound
| Compound ID |
CP0378581
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-amino-N-(1-(5-phenethyl-4-(pyridin-2-ylmethyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-methylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33N7O
|
||||||||||||||||||
| Molecular Weight |
507.642
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33N7O/c1-30(2,31)29(38)34-26(18-22-19-33-25-14-7-6-13-24(22)25)28-36-35-27(16-15-21-10-4-3-5-11-21)37(28)20-23-12-8-9-17-32-23/h3-14,17,19,26,33H,15-16,18,20,31H2,1-2H3,(H,34,38)/t26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OBUHPSWJFKQUJC-AREMUKBSSA-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