General Information of the Compound
| Compound ID |
CP0546161
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(6S,7R)-19-acetyl-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl]-2,2,2-trifluoroacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19F3N2O3
|
||||||||||||||||||
| Molecular Weight |
404.388
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1cccc2Oc3ccccc3[C@@H]3[C@H](CCCN3c12)NC(=O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19F3N2O3/c1-12(27)13-7-4-10-17-19(13)26-11-5-8-15(25-20(28)21(22,23)24)18(26)14-6-2-3-9-16(14)29-17/h2-4,6-7,9-10,15,18H,5,8,11H2,1H3,(H,25,28)/t15-,18+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BKMGRBUWKMJIOY-MAUKXSAKSA-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