General Information of the Compound
| Compound ID |
CP0910551
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-N-(1-(4-(2,4-dimethoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H42N6O3
|
||||||||||||||||||
| Molecular Weight |
594.76
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCNCC3)=NNC2CCc2ccccc2)c(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H42N6O3/c1-43-28-14-13-26(32(21-28)44-2)23-41-33(15-12-24-8-4-3-5-9-24)39-40-34(41)31(38-35(42)25-16-18-36-19-17-25)20-27-22-37-30-11-7-6-10-29(27)30/h3-11,13-14,21-22,25,31,33,36-37,39H,12,15-20,23H2,1-2H3,(H,38,42)/t31-,33?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GCXIVBRAVKUGNP-GWLFDFPQSA-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