General Information of the Compound
| Compound ID |
CP0473812
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-4-[4-[[4-methoxy-2-propan-2-yl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]-3-methylphenyl]-2,2-dimethyl-N-[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethylamino]-1-oxopropan-2-yl]but-3-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C41H62N4O8
|
||||||||||||||||||
| Molecular Weight |
738.967
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(C(C)C)c(Cc2ccc(\C=C\C(C)(C)C(=O)NC(C)(C)C(=O)NCCN3CCN(C)CC3)cc2C)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C41H62N4O8/c1-25(2)30-23-32(52-9)31(37-36(49)35(48)34(47)33(24-46)53-37)22-29(30)21-28-11-10-27(20-26(28)3)12-13-40(4,5)38(50)43-41(6,7)39(51)42-14-15-45-18-16-44(8)17-19-45/h10-13,20,22-23,25,33-37,46-49H,14-19,21,24H2,1-9H3,(H,42,51)(H,43,50)/b13-12+/t33-,34-,35+,36-,37+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YTPORTKEKSADLI-PUNYWUMCSA-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