General Information of the Compound
| Compound ID |
CP0516002
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[(3aS,9R,9aR)-7-fluoro-4-[4-(trifluoromethylsulfanyl)benzoyl]-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinolin-9-yl]-cyclopropylamino]-4-oxobutanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26F4N2O4S
|
||||||||||||||||||
| Molecular Weight |
550.574
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCC(=O)N(C1CC1)[C@@H]1[C@@H]2CCC[C@@H]2N(C(=O)c2ccc(SC(F)(F)F)cc2)c2ccc(F)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26F4N2O4S/c28-16-6-11-22-20(14-16)25(32(17-7-8-17)23(34)12-13-24(35)36)19-2-1-3-21(19)33(22)26(37)15-4-9-18(10-5-15)38-27(29,30)31/h4-6,9-11,14,17,19,21,25H,1-3,7-8,12-13H2,(H,35,36)/t19-,21+,25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SUSDXYWNEJZUPP-FZOAFFARSA-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