General Information of the Compound
| Compound ID |
CP0486428
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3aS,4R,7aS)-4-methyl-2-[3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Show/Hide
|
||||||||||||||||||
| Formula |
C25H25NO4
|
||||||||||||||||||
| Molecular Weight |
403.478
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](Oc1cccc(c1)N1C(=O)[C@H]2CC=C[C@@H](C)[C@@H]2C1=O)C(=O)c1ccc(C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25NO4/c1-15-10-12-18(13-11-15)23(27)17(3)30-20-8-5-7-19(14-20)26-24(28)21-9-4-6-16(2)22(21)25(26)29/h4-8,10-14,16-17,21-22H,9H2,1-3H3/t16-,17+,21+,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ITUNJPYETJCQPB-CTOYSFNJSA-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