General Information of the Compound
| Compound ID |
CP0008454
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]pyridine-3-sulfonamide
Show/Hide
|
||||||||||||||||||
| Formula |
C29H35N5O4S
|
||||||||||||||||||
| Molecular Weight |
549.697
|
||||||||||||||||||
| Canonical SMILES |
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(cc1)N1CCN(CC1)C(C)C)C1=CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H35N5O4S/c1-21(2)33-10-12-34(13-11-33)27-6-4-22(5-7-27)24-16-26(20-30-18-24)32-39(35,36)28-17-25(19-31-29(28)37-3)23-8-14-38-15-9-23/h4-8,16-21,32H,9-15H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MGWSWFHUOBSIBO-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