General Information of the Compound
| Compound ID |
CP0920117
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-((R)-2-(1H-indol-3-yl)-1-(5-phenethyl-4-phenyl-4H-1,2,4-triazol-3-yl)ethyl)piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H36N6O
|
||||||||||||||||||
| Molecular Weight |
520.681
|
||||||||||||||||||
| Canonical SMILES |
O=C(N[C@H](Cc1c[nH]c2ccccc12)C1=NNC(CCc2ccccc2)N1c1ccccc1)C1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H36N6O/c39-32(24-17-19-33-20-18-24)35-29(21-25-22-34-28-14-8-7-13-27(25)28)31-37-36-30(16-15-23-9-3-1-4-10-23)38(31)26-11-5-2-6-12-26/h1-14,22,24,29-30,33-34,36H,15-21H2,(H,35,39)/t29-,30?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HDGIRANBJXMXEK-IDCGIGBZSA-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