General Information of the Compound
| Compound ID |
CP0909320
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-[[(3aS,6aS)-1,1-dioxidohexahydro-5H-thieno[2,3-c]pyrrol-5-yl]carbonyl]-5-methyl-1H-pyrazol-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18N6O4S
|
||||||||||||||||||
| Molecular Weight |
402.436
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cnn1-c1nn2cccc2c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18N6O4S/c1-10-12(16(25)21-8-11-4-6-28(26,27)14(11)9-21)7-18-23(10)17-19-15(24)13-3-2-5-22(13)20-17/h2-3,5,7,11,14H,4,6,8-9H2,1H3,(H,19,20,24)/t11-,14+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UHBVCNQTKCFQQF-SMDDNHRTSA-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