General Information of the Compound
| Compound ID |
CP0449525
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(dimethylamino)ethylamino)-2-(thiophen-3-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21F6N3OS
|
||||||||||||||||||
| Molecular Weight |
453.452
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCN[C@H](C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccsc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21F6N3OS/c1-28(2)5-4-26-16(13-3-6-30-11-13)17(29)27-10-12-7-14(18(20,21)22)9-15(8-12)19(23,24)25/h3,6-9,11,16,26H,4-5,10H2,1-2H3,(H,27,29)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MTTGKUZGRFVEOS-INIZCTEOSA-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