General Information of the Compound
| Compound ID |
CP0431563
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[6-[4-[2-[1-hydroxy-3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclobutyl]ethyl]piperazin-1-yl]-4-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C46H50N4O7
|
||||||||||||||||||
| Molecular Weight |
770.927
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(cc2CN(C3CCC(=O)NC3=O)C(=O)c12)N1CCN(CCC2(O)CC(C2)Oc2ccc(cc2)[C@H]2[C@H](CCc3cc(O)ccc23)c2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C46H50N4O7/c1-56-40-25-33(23-32-28-50(45(54)43(32)40)39-15-16-41(52)47-44(39)53)49-21-19-48(20-22-49)18-17-46(55)26-36(27-46)57-35-11-7-30(8-12-35)42-37(29-5-3-2-4-6-29)13-9-31-24-34(51)10-14-38(31)42/h2-8,10-12,14,23-25,36-37,39,42,51,55H,9,13,15-22,26-28H2,1H3,(H,47,52,53)/t36?,37-,39?,42+,46?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XNNJGMSWSDRAAA-OJNHBPFGSA-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