General Information of the Compound
| Compound ID |
CP0969595
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-N-(1-Acryloylpiperidin-3-yl)-5-(6-cyclobutoxy-4-methylpyridin-3-yl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28N6O4S
|
||||||||||||||||||
| Molecular Weight |
532.626
|
||||||||||||||||||
| Canonical SMILES |
C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2cnc(OC3CCC3)cc2C)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28N6O4S/c1-3-21(34)32-11-5-6-16(14-32)30-25(35)24-23-22-18(9-10-28-26(22)38-24)33(27(36)31-23)19-13-29-20(12-15(19)2)37-17-7-4-8-17/h3,9-10,12-13,16-17H,1,4-8,11,14H2,2H3,(H,30,35)(H,31,36)/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JRDCMCGXAMAUNZ-MRXNPFEDSA-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