General Information of the Compound
| Compound ID |
CP0967241
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-chloro-2-isonicotinoylphenyl)-4-(4-((4R,5R)-2,4,5-trimethyl-1,3-dioxolan-2-yl)piperazin-1-yl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31ClN4O5S
|
||||||||||||||||||
| Molecular Weight |
571.099
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1OC(C)(N2CCN(c3ccc(S(=O)(=O)Nc4ccc(Cl)cc4C(=O)c4ccncc4)cc3)CC2)O[C@@H]1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31ClN4O5S/c1-19-20(2)38-28(3,37-19)33-16-14-32(15-17-33)23-5-7-24(8-6-23)39(35,36)31-26-9-4-22(29)18-25(26)27(34)21-10-12-30-13-11-21/h4-13,18-20,31H,14-17H2,1-3H3/t19-,20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JAIIDNMTTHBYDA-WOJBJXKFSA-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