General Information of the Compound
| Compound ID |
CP0148549
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[4-(4-tert-butylphenyl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30FN3O2
|
||||||||||||||||||
| Molecular Weight |
459.565
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1c(cnc2ccc(F)cc12)C(=O)N1CCN(CC1)C(=O)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30FN3O2/c1-28(2,3)20-8-6-18(7-9-20)25-22-16-21(29)10-11-24(22)30-17-23(25)27(34)32-14-12-31(13-15-32)26(33)19-4-5-19/h6-11,16-17,19H,4-5,12-15H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GWVMSTFAQOHEOM-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