General Information of the Compound
| Compound ID |
CP0435197
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-N-[(1R)-1-[4-(2,4-dimethoxyphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H32N6O3
|
||||||||||||||||||
| Molecular Weight |
524.625
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(c(OC)c1)-n1c(CCc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H32N6O3/c1-38-22-13-14-26(27(17-22)39-2)36-28(15-12-20-8-4-3-5-9-20)34-35-30(36)25(33-29(37)18-31)16-21-19-32-24-11-7-6-10-23(21)24/h3-11,13-14,17,19,25,32H,12,15-16,18,31H2,1-2H3,(H,33,37)/t25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MSFIVLSDUGNPCO-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