General Information of the Compound
| Compound ID |
CP0575832
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[4-[[1-(3,3-difluoropropyl)azetidin-3-ylidene]methyl]phenyl]-6-(4-fluoro-2-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C32H30F3NO2
|
||||||||||||||||||
| Molecular Weight |
517.591
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(F)ccc1C1=C(c2ccc(C=C3CN(CCC(F)F)C3)cc2)c2ccc(cc2CCC1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H30F3NO2/c1-20-15-26(33)10-12-27(20)29-4-2-3-24-17-25(32(37)38)9-11-28(24)31(29)23-7-5-21(6-8-23)16-22-18-36(19-22)14-13-30(34)35/h5-12,15-17,30H,2-4,13-14,18-19H2,1H3,(H,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DEAZVKBIGSBZFD-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 | |||||||||||||||||||
| 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