General Information of the Compound
| Compound ID |
CP0441419
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3R,4S,5S,6R)-2-(3-(4-cyclopropylbenzyl)-4,6-difluoro-1H-indol-1-yl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25F2NO5
|
||||||||||||||||||
| Molecular Weight |
445.462
|
||||||||||||||||||
| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(F)cc(F)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25F2NO5/c25-16-8-17(26)20-15(7-12-1-3-13(4-2-12)14-5-6-14)10-27(18(20)9-16)24-23(31)22(30)21(29)19(11-28)32-24/h1-4,8-10,14,19,21-24,28-31H,5-7,11H2/t19-,21-,22+,23-,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UTFVDMCHZXTLTA-PFKOEMKTSA-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