General Information of the Compound
| Compound ID |
CP0579094
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US11384083, Example 12
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H31N7O4S
|
||||||||||||||||||
| Molecular Weight |
501.613
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc2c(n1)N([C@@H]1CCC[C@@H](O)C1)C(=O)C21CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H31N7O4S/c1-28-14-18(12-25-28)35(33,34)29-9-5-15(6-10-29)26-22-24-13-19-20(27-22)30(21(32)23(19)7-8-23)16-3-2-4-17(31)11-16/h12-17,31H,2-11H2,1H3,(H,24,26,27)/t16-,17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NFBXAEBBIROPOO-IAGOWNOFSA-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