General Information of the Compound
| Compound ID |
CP0493084
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(carbamoylmethyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27F3N2O3
|
||||||||||||||||||
| Molecular Weight |
412.452
|
||||||||||||||||||
| Canonical SMILES |
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)C1CCC(CC(N)=O)CC1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27F3N2O3/c1-20(29,21(22,23)24)15-6-4-14(5-7-15)19(28)26(17-10-11-17)16-8-2-13(3-9-16)12-18(25)27/h4-7,13,16-17,29H,2-3,8-12H2,1H3,(H2,25,27)/t13?,16?,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RXMBFCVAEARSOW-SKMDKRRUSA-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