General Information of the Compound
| Compound ID |
CP0969498
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S,4S)-2-((1R)-2-Amino-1-((2S,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dimethoxytetrahydrofuran-2-yl)-2-oxoethoxy)-3,4-dihydroxy-N-(4-(4-(4-(trifluoromethoxy)-phenoxy)piperidin-1-yl)benzyl)-3,4-dihydro-2H-pyran-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C37H42F3N5O13
|
||||||||||||||||||
| Molecular Weight |
821.759
|
||||||||||||||||||
| Canonical SMILES |
CO[C@H]1[C@@H](OC)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1[C@@H](O[C@H]1OC(C(=O)NCc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)=C[C@H](O)[C@@H]1O)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H42F3N5O13/c1-52-28-29(56-34(31(28)53-2)45-16-13-26(47)43-36(45)51)30(32(41)49)57-35-27(48)24(46)17-25(55-35)33(50)42-18-19-3-5-20(6-4-19)44-14-11-22(12-15-44)54-21-7-9-23(10-8-21)58-37(38,39)40/h3-10,13,16-17,22,24,27-31,34-35,46,48H,11-12,14-15,18H2,1-2H3,(H2,41,49)(H,42,50)(H,43,47,51)/t24-,27-,28+,29-,30+,31+,34+,35+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HMPNVTQYZVZWIF-GGHRAOLWSA-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