General Information of the Compound
| Compound ID |
CP0116946
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-methyl-13-methylsulfanyl-9-[4-(trifluoromethyl)phenyl]-2,4,5,8,12,14-hexazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13F3N6S
|
||||||||||||||||||
| Molecular Weight |
390.394
|
||||||||||||||||||
| Canonical SMILES |
CSc1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccc(cc2)C(F)(F)F)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13F3N6S/c1-8-12-15(26-25-8)23-14-11(7-21-16(24-14)27-2)13(22-12)9-3-5-10(6-4-9)17(18,19)20/h3-7H,1-2H3,(H2,21,23,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XRDQQWGROHCCAE-UHFFFAOYSA-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