General Information of the Compound
| Compound ID |
CP0550218
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8901315, 383
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32N6O2S
|
||||||||||||||||||
| Molecular Weight |
480.638
|
||||||||||||||||||
| Canonical SMILES |
CN1CCCN(CC1)C(=O)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32N6O2S/c1-17-20-15-22(34-25(20)31(28-17)19-7-4-3-5-8-19)23(32)27-18-9-10-21(26-16-18)24(33)30-12-6-11-29(2)13-14-30/h9-10,15-16,19H,3-8,11-14H2,1-2H3,(H,27,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FVHBSGBINYXLKC-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