General Information of the Compound
| Compound ID |
CP0851535
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID131443481
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H30F3N3O5
|
||||||||||||||||||
| Molecular Weight |
569.58
|
||||||||||||||||||
| Canonical SMILES |
O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H30F3N3O5/c31-30(32,33)19-6-8-20(9-7-19)35-29(39)36-21-10-11-25-23(14-21)24-15-22(40-26(17-37)28(24)41-25)16-27(38)34-13-12-18-4-2-1-3-5-18/h1-11,14,22,24,26,28,37H,12-13,15-17H2,(H,34,38)(H2,35,36,39)/t22-,24-,26-,28+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HHORGFBYQNPTJA-AJWNWGNMSA-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