General Information of the Compound
| Compound ID |
CP0396988
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,4-difluoro-N-[5-[5-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1-oxo-3H-isoindol-5-yl]thiophen-2-yl]pyridin-3-yl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H29F2N5O3S2
|
||||||||||||||||||
| Molecular Weight |
609.724
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CCN2Cc3cc(ccc3C2=O)-c2ccc(s2)-c2cncc(NS(=O)(=O)c3ccc(F)cc3F)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H29F2N5O3S2/c1-35-8-10-36(11-9-35)12-13-37-19-22-14-20(2-4-25(22)30(37)38)27-5-6-28(41-27)21-15-24(18-33-17-21)34-42(39,40)29-7-3-23(31)16-26(29)32/h2-7,14-18,34H,8-13,19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PSJZBYGXMOMNPP-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