General Information of the Compound
| Compound ID |
CP0376638
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-N-((4H-1,2,4-triazol-3-yl)methyl)-2-(4-fluorophenyl)-N-methylcyclopentanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25F7N4O
|
||||||||||||||||||
| Molecular Weight |
530.488
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)Cc1nnc[nH]1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25F7N4O/c1-14(16-9-17(24(27,28)29)11-18(10-16)25(30,31)32)37-21-8-7-20(36(2)12-22-33-13-34-35-22)23(21)15-3-5-19(26)6-4-15/h3-6,9-11,13-14,20-21,23H,7-8,12H2,1-2H3,(H,33,34,35)/t14-,20-,21+,23+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DWOYLZPGCVPOFQ-XGXIMLBESA-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