General Information of the Compound
| Compound ID |
CP0016294
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-[4-[bis(4-fluorophenyl)methylene]piperidino]ethyl]-2-thioxo-1H-quinazolin-4-one
Show/Hide
|
||||||||||||||||||
| Synonyms |
R 59 949
R59949
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25F2N3OS
|
||||||||||||||||||
| Molecular Weight |
489.591
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZCNBZFRECRPCKU-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
120166-69-0
|
||||||||||||||||||
| 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
Protein ID: PT04465, Diacylglycerol kinase alpha
Protein ID: PT07598, Diacylglycerol kinase alpha
Protein ID: PT06109, Geminin
Clinical Information about the Compound
Drug 1 ( R59949 )
| Drug Name | R59949 | ||
|---|---|---|---|