General Information of the Compound
| Compound ID |
CP0375663
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (1R,9S,11S,14E,15S,17S,19R)-19-(acetyloxymethyl)-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3(8),4,6-triene-19-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30N2O6
|
||||||||||||||||||
| Molecular Weight |
454.523
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@]1(COC(C)=O)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N2O6/c1-6-15-12-27-20-10-17(15)23(22(29)31-5,13-32-14(2)28)24-11-21(27)33-25(20,24)26(3)19-8-7-16(30-4)9-18(19)24/h6-9,17,20-21H,10-13H2,1-5H3/b15-6-/t17-,20-,21-,23-,24-,25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JWEUDCHKYJCDJD-XPVAGYAJSA-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
Protein ID: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2