General Information of the Compound
| Compound ID |
CP0329965
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 1-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-2-yl)methyl]piperidine-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20FN3O4
|
||||||||||||||||||
| Molecular Weight |
421.428
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C1CCCN(Cc2ccc3nc4C(=O)c5cc(F)ccc5-n4c(=O)c3c2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20FN3O4/c1-31-23(30)14-3-2-8-26(12-14)11-13-4-6-18-16(9-13)22(29)27-19-7-5-15(24)10-17(19)20(28)21(27)25-18/h4-7,9-10,14H,2-3,8,11-12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KIGHWMYCRYPNLO-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