General Information of the Compound
| Compound ID |
CP0453598
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'-[3,5-bis(trifluoromethyl)benzoyl]-5-(2-methoxybenzoyl)-2-methylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25F6N3O5
|
||||||||||||||||||
| Molecular Weight |
597.512
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1C(=O)N1CC2C(C(=O)N(C)C2=O)C11CCN(CC1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25F6N3O5/c1-35-23(39)19-14-37(24(40)18-5-3-4-6-20(18)42-2)26(21(19)25(35)41)7-9-36(10-8-26)22(38)15-11-16(27(29,30)31)13-17(12-15)28(32,33)34/h3-6,11-13,19,21H,7-10,14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
TXYUZUBLLXLHPL-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