General Information of the Compound
| Compound ID |
CP0107004
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9242977, 34
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H27F3N6O2S
|
||||||||||||||||||
| Molecular Weight |
604.658
|
||||||||||||||||||
| Canonical SMILES |
CCNc1ncc(s1)-c1ccc(Oc2ccc(NC(=O)Nc3cc(cnc3-c3ccc(C)c(C)c3)C(F)(F)F)cn2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H27F3N6O2S/c1-4-35-30-38-17-26(43-30)20-7-10-24(11-8-20)42-27-12-9-23(16-36-27)39-29(41)40-25-14-22(31(32,33)34)15-37-28(25)21-6-5-18(2)19(3)13-21/h5-17H,4H2,1-3H3,(H,35,38)(H2,39,40,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KPFPNNCNIXMYCQ-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