General Information of the Compound
| Compound ID |
CP0252329
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[2-amino-5-(3-piperazin-1-ylphenyl)pyridin-3-yl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30FN5O3S
|
||||||||||||||||||
| Molecular Weight |
499.612
|
||||||||||||||||||
| Canonical SMILES |
CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1cccc(c1)N1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30FN5O3S/c1-3-11-35(32,33)30-23-15-18(14-22(26)24(23)34-2)21-13-19(16-29-25(21)27)17-5-4-6-20(12-17)31-9-7-28-8-10-31/h4-6,12-16,28,30H,3,7-11H2,1-2H3,(H2,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QXIDSSPGGSFJDS-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 | |||||||||||||||||||
| 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