General Information of the Compound
| Compound ID |
CP0561598
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266876, 22
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25N7OS
|
||||||||||||||||||
| Molecular Weight |
471.59
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1ccc2cccnc12)c1scnc1-c1nc2c(C)cccc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25N7OS/c1-16-5-3-7-19-21(16)29-23(28-19)22-25(34-15-27-22)31-11-12-32(17(2)13-31)20(33)14-30-10-8-18-6-4-9-26-24(18)30/h3-10,15,17H,11-14H2,1-2H3,(H,28,29)/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SOSAHDDYEAPUCF-QGZVFWFLSA-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