General Information of the Compound
| Compound ID |
CP0960213
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216968, 70
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H31ClF3N5O4
|
||||||||||||||||||
| Molecular Weight |
642.078
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c([C@H]3CCCN3C(=O)OC(C)(C)C)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H31ClF3N5O4/c1-17-22(33)11-7-12-23(17)39-29(43)20-15-18(37-28(42)19-9-5-6-10-21(19)32(34,35)36)16-24-26(20)40-27(38-24)25-13-8-14-41(25)30(44)45-31(2,3)4/h5-7,9-12,15-16,25H,8,13-14H2,1-4H3,(H,37,42)(H,38,40)(H,39,43)/t25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MSPYBZDJCHZFHM-RUZDIDTESA-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