General Information of the Compound
| Compound ID |
CP0513991
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,3'R,4'S,5'S,6'R)-5-chloro-4-(1-(4-ethylphenyl)cyclopropyl)-6'-(hydroxymethyl)-3',4',5',6'-tetrahydro-3H-spiro[isobenzofuran-1,2'-pyran]-3',4',5'-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27ClO6
|
||||||||||||||||||
| Molecular Weight |
446.927
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(cc1)C1(CC1)c1c2CO[C@]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2ccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27ClO6/c1-2-13-3-5-14(6-4-13)23(9-10-23)19-15-12-30-24(16(15)7-8-17(19)25)22(29)21(28)20(27)18(11-26)31-24/h3-8,18,20-22,26-29H,2,9-12H2,1H3/t18-,20-,21+,22-,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KUEXHXGIDKHGTC-YVTYUBGGSA-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