General Information of the Compound
| Compound ID |
CP0579780
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6R)-17-amino-6,15-bis(trifluoromethyl)-19-oxa-13-thia-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol
Show/Hide
|
||||||||||||||||||
| Formula |
C16H16F6N4O2S
|
||||||||||||||||||
| Molecular Weight |
442.385
|
||||||||||||||||||
| Canonical SMILES |
Nc1cc(c2SCCCCCC[C@@](O)(c3nnc(o3)-c1n2)C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16F6N4O2S/c17-15(18,19)8-7-9(23)10-11-25-26-13(28-11)14(27,16(20,21)22)5-3-1-2-4-6-29-12(8)24-10/h7,27H,1-6,23H2/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FMTOZCUICKNRFG-CQSZACIVSA-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 | |||||||||||||||||||
| 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