General Information of the Compound
| Compound ID |
CP0385943
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[[6-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl] isoquinoline-5-sulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H33N5O6S
|
||||||||||||||||||
| Molecular Weight |
615.712
|
||||||||||||||||||
| Canonical SMILES |
O=C(C1CC2CCC1C2)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H33N5O6S/c38-29-18-30(35-12-14-36(15-13-35)31(39)27-17-22-4-7-23(27)16-22)37(32(40)34-29)20-21-5-8-25(9-6-21)43-44(41,42)28-3-1-2-24-19-33-11-10-26(24)28/h1-3,5-6,8-11,18-19,22-23,27H,4,7,12-17,20H2,(H,34,38,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SGBHZWYQHKEXJT-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