General Information of the Compound
| Compound ID |
CP0543004
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,6R,8R,9R,10S,15R,17R,18R)-8,17-bis(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3,12-dihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecane-9,18-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24I2N8O12P2
|
||||||||||||||||||
| Molecular Weight |
908.234
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@H]2[C@H]1O)O[C@H]3n1cc(I)c2c(N)ncnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24I2N8O12P2/c23-7-1-31(19-11(7)17(25)27-5-29-19)21-14(34)15-10(42-21)4-40-46(37,38)44-16-13(33)9(3-39-45(35,36)43-15)41-22(16)32-2-8(24)12-18(26)28-6-30-20(12)32/h1-2,5-6,9-10,13-16,21-22,33-34H,3-4H2,(H,35,36)(H,37,38)(H2,25,27,29)(H2,26,28,30)/t9-,10-,13-,14-,15-,16-,21-,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VETMLNCKWQOXLW-LAMCKDNKSA-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 | |||||||||||||||||||
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