General Information of the Compound
| Compound ID |
CP0576813
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6S)-7-N-(4-fluoro-3-methylphenyl)-6-methyl-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21F4N5O2
|
||||||||||||||||||
| Molecular Weight |
427.402
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](NC(=O)c1ncn2C[C@H](C)N(Cc12)C(=O)Nc1ccc(F)c(C)c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21F4N5O2/c1-10-6-13(4-5-14(10)20)26-18(30)28-8-15-16(24-9-27(15)7-11(28)2)17(29)25-12(3)19(21,22)23/h4-6,9,11-12H,7-8H2,1-3H3,(H,25,29)(H,26,30)/t11-,12+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HRMALCAFLUVWEO-NWDGAFQWSA-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 | |||||||||||||||||||
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