General Information of the Compound
| Compound ID |
CP0563390
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266876, 3
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23N7O2S
|
||||||||||||||||||
| Molecular Weight |
473.562
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2ccccc2n(CC(=O)N2CCN(CC2)c2scnc2-c2nc3ccccc3[nH]2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23N7O2S/c1-28-18-8-4-5-9-19(18)31(24(28)33)14-20(32)29-10-12-30(13-11-29)23-21(25-15-34-23)22-26-16-6-2-3-7-17(16)27-22/h2-9,15H,10-14H2,1H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YKMIHVJWFJSFQY-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