General Information of the Compound
| Compound ID |
CP0484819
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969325, 306
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29ClF2N4O4
|
||||||||||||||||||
| Molecular Weight |
522.98
|
||||||||||||||||||
| Canonical SMILES |
COCCN(C)C1Cc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc34)cc2NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29ClF2N4O4/c1-32(7-8-35-2)21-9-15-3-5-17(11-19(15)30-23(21)33)29-24(34)31-20-12-25(13-27,14-28)36-22-10-16(26)4-6-18(20)22/h3-6,10-11,20-21H,7-9,12-14H2,1-2H3,(H,30,33)(H2,29,31,34)/t20-,21?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SDABLNRBCHMFIH-VQCQRNETSA-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