General Information of the Compound
| Compound ID |
CP0385058
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,5-difluoro-N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H30F2N6O2
|
||||||||||||||||||
| Molecular Weight |
592.65
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncc(F)cc2F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H30F2N6O2/c1-44-26-14-11-23(12-15-26)21-42-31(16-13-22-7-3-2-4-8-22)40-41-33(42)30(17-24-19-37-29-10-6-5-9-27(24)29)39-34(43)32-28(36)18-25(35)20-38-32/h2-12,14-15,18-20,30,37H,13,16-17,21H2,1H3,(H,39,43)/t30-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VYVYNCOEFFUNJV-SSEXGKCCSA-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