General Information of the Compound
| Compound ID |
CP0455084
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-N-((4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)(1H-indol-3-yl)methyl)picolinamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H30N6O2
|
||||||||||||||||||
| Molecular Weight |
542.643
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H30N6O2/c1-41-25-17-14-24(15-18-25)22-39-30(19-16-23-9-3-2-4-10-23)37-38-32(39)31(36-33(40)29-13-7-8-20-34-29)27-21-35-28-12-6-5-11-26(27)28/h2-15,17-18,20-21,31,35H,16,19,22H2,1H3,(H,36,40)/t31-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YLIRAAGGGOHKJM-WJOKGBTCSA-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