General Information of the Compound
| Compound ID |
CP0575864
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US11136312, Compound SM-I-92
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28N6O2S
|
||||||||||||||||||
| Molecular Weight |
488.617
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28N6O2S/c1-35(33,34)22-8-4-6-19(14-22)15-26-31-30-25(32(26)13-5-7-21-17-27-18-29-21)12-11-20-16-28-24-10-3-2-9-23(20)24/h2-4,6,8-10,14,16-18,28H,5,7,11-13,15H2,1H3,(H,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CDQCXYLWMPOTMJ-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 | |||||||||||||||||||
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