General Information of the Compound
| Compound ID |
CP0160834
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(2-(3-(4-bromo-2-methylbenzylamino)-1-(tert-butylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-2-amino-3-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31BrF3N5O3
|
||||||||||||||||||
| Molecular Weight |
586.453
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(c1N)C(F)(F)F)C(=O)NC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31BrF3N5O3/c1-14-10-16(26)9-8-15(14)11-31-12-19(23(37)34-24(2,3)4)33-20(35)13-32-22(36)17-6-5-7-18(21(17)30)25(27,28)29/h5-10,19,31H,11-13,30H2,1-4H3,(H,32,36)(H,33,35)(H,34,37)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FQVOQFDNIZIQOT-IBGZPJMESA-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