General Information of the Compound
| Compound ID |
CP0199851
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-butylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-3-amino-5-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H34F3N5O3
|
||||||||||||||||||
| Molecular Weight |
521.584
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H34F3N5O3/c1-15-6-7-17(16(2)8-15)12-31-13-21(24(37)34-25(3,4)5)33-22(35)14-32-23(36)18-9-19(26(27,28)29)11-20(30)10-18/h6-11,21,31H,12-14,30H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZEYAHFUIXMLOML-NRFANRHFSA-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