General Information of the Compound
| Compound ID |
CP0371189
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-3-(2-Fluoro-phenyl)-10-methyl-9,10,11,12-tetrahydro-7-thia-4,9,12-triaza-naphtho[1,2-a]azulen-8-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H16FN3OS
|
||||||||||||||||||
| Molecular Weight |
377.444
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccccc2F)C(=O)N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H16FN3OS/c1-11-10-23-19-18-13-6-7-15(12-4-2-3-5-14(12)22)25-16(13)8-9-17(18)27-20(19)21(26)24-11/h2-9,11,23H,10H2,1H3,(H,24,26)/t11-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TXYQKEJLINYOCR-LLVKDONJSA-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