General Information of the Compound
| Compound ID |
CP0453043
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-cyclopropyl-4-(4-(4-fluorophenyl)piperidin-1-yl)butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29F7N2O
|
||||||||||||||||||
| Molecular Weight |
530.528
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)C1CCN(CC[C@@H](C2CC2)C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29F7N2O/c28-23-5-3-18(4-6-23)19-7-10-36(11-8-19)12-9-24(20-1-2-20)25(37)35-16-17-13-21(26(29,30)31)15-22(14-17)27(32,33)34/h3-6,13-15,19-20,24H,1-2,7-12,16H2,(H,35,37)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QWTVAFDNGVIQDB-DEOSSOPVSA-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