General Information of the Compound
| Compound ID |
CP0399927
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-({[(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethyl]-propyl-amino}-methyl)-2,4-dihydro-[1,2,4]triazol-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24F6N4O2
|
||||||||||||||||||
| Molecular Weight |
502.459
|
||||||||||||||||||
| Canonical SMILES |
CCCN(Cc1n[nH]c(=O)[nH]1)[C@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24F6N4O2/c1-2-8-33(12-20-30-21(34)32-31-20)19(16-6-4-3-5-7-16)14-35-13-15-9-17(22(24,25)26)11-18(10-15)23(27,28)29/h3-7,9-11,19H,2,8,12-14H2,1H3,(H2,30,31,32,34)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PCUHKXFCORPXBB-LJQANCHMSA-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