General Information of the Compound
| Compound ID |
CP0419561
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 12-((8R,9S,13S,14S,16S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)dodecanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C40H57N5O7
|
||||||||||||||||||
| Molecular Weight |
719.924
|
||||||||||||||||||
| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@H](CCCCCCCCCCCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3c(N)ncnc13)[C@@H]2O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H57N5O7/c1-40-18-17-28-27-16-14-26(46)19-24(27)13-15-29(28)30(40)20-25(36(40)50)11-9-7-5-3-2-4-6-8-10-12-32(47)51-21-31-34(48)35(49)39(52-31)45-23-44-33-37(41)42-22-43-38(33)45/h14,16,19,22-23,25,28-31,34-36,39,46,48-50H,2-13,15,17-18,20-21H2,1H3,(H2,41,42,43)/t25-,28+,29+,30-,31+,34+,35+,36-,39+,40-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BSSSXFOHTFMIBW-OITWSRPRSA-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