General Information of the Compound
| Compound ID |
CP0419621
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL218871
Show/Hide
|
||||||||||||||||||
| Formula |
C30H35F3N4O5
|
||||||||||||||||||
| Molecular Weight |
588.627
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@@H](CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1OC(F)(F)F)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35F3N4O5/c1-29(2,3)22-9-11-23(12-10-22)37(18-19-4-7-21(8-5-19)27(40)35-15-14-26(38)39)28(41)36-24-13-6-20(17-34)16-25(24)42-30(31,32)33/h4-8,13,16,22-23H,9-12,14-15,18H2,1-3H3,(H,35,40)(H,36,41)(H,38,39)/t22-,23-
Show/Hide
|
||||||||||||||||||
| InChIKey |
LJYSMDVOOHBGLZ-YHBQERECSA-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