General Information of the Compound
| Compound ID |
CP0295785
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methyl-N-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]propane-2-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22N4O3S
|
||||||||||||||||||
| Molecular Weight |
422.51
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(cn1)-c1cnc2ccc3ccc(NS(=O)(=O)C(C)(C)C)cc3c(=O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N4O3S/c1-22(2,3)30(28,29)25-17-7-5-14-6-8-20-19(21(27)18(14)10-17)9-15(11-23-20)16-12-24-26(4)13-16/h5-13,25H,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SEKSKAHLHZNVJO-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