General Information of the Compound
| Compound ID |
CP0363429
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-(benzenesulfonyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27N7O5S
|
||||||||||||||||||
| Molecular Weight |
561.624
|
||||||||||||||||||
| Canonical SMILES |
O=C(CC1CN(CCN1c1ccnc(n1)-n1ccnc1)S(=O)(=O)c1ccccc1)NCc1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27N7O5S/c35-26(30-16-20-6-7-23-24(14-20)39-19-38-23)15-21-17-33(40(36,37)22-4-2-1-3-5-22)12-13-34(21)25-8-9-29-27(31-25)32-11-10-28-18-32/h1-11,14,18,21H,12-13,15-17,19H2,(H,30,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UXEWUEZKRXQCGG-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