General Information of the Compound
| Compound ID |
CP0970153
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-1-(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)-2-(3,4-dichlorophenyl)ethanone trifluoroacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21Cl2F6N3O4
|
||||||||||||||||||
| Molecular Weight |
576.321
|
||||||||||||||||||
| Canonical SMILES |
NCc1cc(O[C@H]2CCCN(C(=O)Cc3ccc(Cl)c(Cl)c3)C2)nc(C(F)(F)F)c1.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20Cl2F3N3O2.C2HF3O2/c21-15-4-3-12(6-16(15)22)9-19(29)28-5-1-2-14(11-28)30-18-8-13(10-26)7-17(27-18)20(23,24)25;3-2(4,5)1(6)7/h3-4,6-8,14H,1-2,5,9-11,26H2;(H,6,7)/t14-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WBLQWYIWXACLKV-UQKRIMTDSA-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