General Information of the Compound
| Compound ID |
CP0208642
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-amino-1-oxopropan-2-ylamino)-2-oxoethyl)-2-amino-3-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26F3N5O3
|
||||||||||||||||||
| Molecular Weight |
465.476
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2N)C(F)(F)F)C(N)=O)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26F3N5O3/c1-12-6-7-14(13(2)8-12)9-28-10-17(20(27)32)30-18(31)11-29-21(33)15-4-3-5-16(19(15)26)22(23,24)25/h3-8,17,28H,9-11,26H2,1-2H3,(H2,27,32)(H,29,33)(H,30,31)/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FPRGMDNECUUAFV-KRWDZBQOSA-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