General Information of the Compound
| Compound ID |
CP0879905
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-((R)-1-(4-(2,4-dimethoxyphenyl)-5-phenethyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H40N6O3
|
||||||||||||||||||
| Molecular Weight |
580.733
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(N2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCNCC3)=NNC2CCc2ccccc2)c(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H40N6O3/c1-42-26-13-14-30(31(21-26)43-2)40-32(15-12-23-8-4-3-5-9-23)38-39-33(40)29(37-34(41)24-16-18-35-19-17-24)20-25-22-36-28-11-7-6-10-27(25)28/h3-11,13-14,21-22,24,29,32,35-36,38H,12,15-20H2,1-2H3,(H,37,41)/t29-,32?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MFUCOGKZMFSLPM-UYEDPJPISA-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