General Information of the Compound
| Compound ID |
CP0378570
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-N-(1-(5-(3-(1H-indol-3-yl)propyl)-4-benzyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H37N7O
|
||||||||||||||||||
| Molecular Weight |
559.718
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H37N7O/c1-34(2,35)33(42)38-30(19-25-21-37-29-17-9-7-15-27(25)29)32-40-39-31(41(32)22-23-11-4-3-5-12-23)18-10-13-24-20-36-28-16-8-6-14-26(24)28/h3-9,11-12,14-17,20-21,30,36-37H,10,13,18-19,22,35H2,1-2H3,(H,38,42)/t30-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NQKIWLUUQGGHDS-SSEXGKCCSA-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