General Information of the Compound
| Compound ID |
CP0538306
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10201546, Example 83
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28ClF3N6O3
|
||||||||||||||||||
| Molecular Weight |
589.018
|
||||||||||||||||||
| Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1C(=O)N1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28ClF3N6O3/c1-15-5-7-20(16(2)34-15)27(40,22-14-33-36-37(22)3)18-6-8-21-19(13-18)24(29)23(25(35-21)41-4)26(39)38-11-9-17(10-12-38)28(30,31)32/h5-8,13-14,17,40H,9-12H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DMKPTGTYCPYNJV-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