General Information of the Compound
| Compound ID |
CP0907624
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID85797915
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33F4N3O5S
|
||||||||||||||||||
| Molecular Weight |
623.669
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33F4N3O5S/c1-19-15-37(20(2)18-38)29(39)26-14-24(35-43(40,41)25-11-8-23(31)9-12-25)10-13-27(26)42-28(19)17-36(3)16-21-4-6-22(7-5-21)30(32,33)34/h4-14,19-20,28,35,38H,15-18H2,1-3H3/t19-,20-,28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZBPKQJKPBAJGFS-NCXSOUSFSA-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