General Information of the Compound
| Compound ID |
CP0490816
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216968, 61
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H29ClF3N5O4
|
||||||||||||||||||
| Molecular Weight |
628.051
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)C1CN(C1)C(=O)OC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H29ClF3N5O4/c1-16-22(32)10-7-11-23(16)38-28(42)20-12-18(36-27(41)19-8-5-6-9-21(19)31(33,34)35)13-24-25(20)39-26(37-24)17-14-40(15-17)29(43)44-30(2,3)4/h5-13,17H,14-15H2,1-4H3,(H,36,41)(H,37,39)(H,38,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NCKZAXPLKFSSCR-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