General Information of the Compound
| Compound ID |
CP0518824
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216968, 158
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27ClF3N5O3
|
||||||||||||||||||
| Molecular Weight |
574.003
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NCC(C)(C)CO)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27ClF3N5O3/c1-15-20(29)9-6-10-21(15)35-25(40)18-11-16(34-24(39)17-7-4-5-8-19(17)28(30,31)32)12-22-23(18)37-26(36-22)33-13-27(2,3)14-38/h4-12,38H,13-14H2,1-3H3,(H,34,39)(H,35,40)(H2,33,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YSAZMAQQWXRSND-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