General Information of the Compound
| Compound ID |
CP0553965
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10435369, Example 71
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H29F8NO4S
|
||||||||||||||||||
| Molecular Weight |
639.605
|
||||||||||||||||||
| Canonical SMILES |
OC1(CNC(=O)[C@@H]2CC[C@@]3([C@H]2CCc2cc(ccc32)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c2ccc(F)cc2)CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H29F8NO4S/c30-19-5-7-20(8-6-19)43(41,42)26-14-11-21(24(39)38-16-25(40)12-1-2-13-25)23(26)9-3-17-15-18(4-10-22(17)26)27(31,28(32,33)34)29(35,36)37/h4-8,10,15,21,23,40H,1-3,9,11-14,16H2,(H,38,39)/t21-,23+,26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BYPRNDXXUCKHDZ-VIICAESSSA-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