General Information of the Compound
| Compound ID |
CP0534139
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-[3-(4,6-diethylpyrimidin-2-yl)oxypropyl]-6-nitro-1,2,3,4-tetrahydrocarbazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28N4O3
|
||||||||||||||||||
| Molecular Weight |
408.502
|
||||||||||||||||||
| Canonical SMILES |
CCc1cc(CC)nc(OCCCn2c3CCCCc3c3cc(ccc23)[N+]([O-])=O)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28N4O3/c1-3-16-14-17(4-2)25-23(24-16)30-13-7-12-26-21-9-6-5-8-19(21)20-15-18(27(28)29)10-11-22(20)26/h10-11,14-15H,3-9,12-13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HIBVCYBQWSXCCJ-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