General Information of the Compound
| Compound ID |
CP0228183
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9242977, 66-72
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H31N9O5S2
|
||||||||||||||||||
| Molecular Weight |
673.781
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2cnc(Oc3ccc(cc3)-c3cnc(s3)N3CCCC3=O)nc2)n(n1)-c1ccc(cc1)S(N)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H31N9O5S2/c1-31(2,3)25-15-26(40(38-25)21-8-12-23(13-9-21)47(32,43)44)37-28(42)36-20-16-33-29(34-17-20)45-22-10-6-19(7-11-22)24-18-35-30(46-24)39-14-4-5-27(39)41/h6-13,15-18H,4-5,14H2,1-3H3,(H2,32,43,44)(H2,36,37,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JWKHWFVMEDYXMH-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