General Information of the Compound
| Compound ID |
CP0500893
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1'-methylsulfonyl-2-(naphthalene-2-carbonyl)spiro[3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H27F6N3O5S
|
||||||||||||||||||
| Molecular Weight |
667.628
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)N1CCC2(CC1)C1C(CN2C(=O)c2ccc3ccccc3c2)C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H27F6N3O5S/c1-46(44,45)38-10-8-29(9-11-38)25-24(17-40(29)26(41)21-7-6-19-4-2-3-5-20(19)14-21)27(42)39(28(25)43)16-18-12-22(30(32,33)34)15-23(13-18)31(35,36)37/h2-7,12-15,24-25H,8-11,16-17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UGULBQBVNWXBKM-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