General Information of the Compound
| Compound ID |
CP0564725
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-cyclopropyl-1-(4-fluorophenyl)sulfonyl-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-yl]pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C27H26FN3O5S2
|
||||||||||||||||||
| Molecular Weight |
555.653
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)N1C(C2CC2)C2(CCS(=O)(=O)CC2)c2cc(NC(=O)c3cccnc3)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26FN3O5S2/c28-20-5-8-22(9-6-20)38(35,36)31-24-10-7-21(30-26(32)19-2-1-13-29-17-19)16-23(24)27(25(31)18-3-4-18)11-14-37(33,34)15-12-27/h1-2,5-10,13,16-18,25H,3-4,11-12,14-15H2,(H,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KZBULHLXXDUPOE-UHFFFAOYSA-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 | |||||||||||||||||||
| 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