General Information of the Compound
| Compound ID |
CP0567939
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[7-[4-(2-hydroxyethyl)piperazin-1-yl]-2,1,3-benzoxadiazol-4-yl]sulfonyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30N6O5S
|
||||||||||||||||||
| Molecular Weight |
526.619
|
||||||||||||||||||
| Canonical SMILES |
OCCN1CCN(CC1)c1ccc(c2nonc12)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N6O5S/c32-14-13-30-9-11-31(12-10-30)20-7-8-21(24-23(20)27-36-28-24)37(34,35)29-25(33)26-22-18-5-1-3-16(18)15-17-4-2-6-19(17)22/h7-8,15,32H,1-6,9-14H2,(H2,26,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HEYSDDKCZXJMGX-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 | |||||||||||||||||||
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