General Information of the Compound
| Compound ID |
CP0543862
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2R,3S,4R,5S)-4-[2-(3-cyclohexylpropoxy)-6-[2-(3-hydroxy-4-methoxyphenyl)ethylamino]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H42N6O6
|
||||||||||||||||||
| Molecular Weight |
594.713
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(O)c3)nc(OCCCC3CCCCC3)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H42N6O6/c1-32-29(41)31-16-20(31)24(25(39)26(31)40)37-17-34-23-27(33-13-12-19-10-11-22(42-2)21(38)15-19)35-30(36-28(23)37)43-14-6-9-18-7-4-3-5-8-18/h10-11,15,17-18,20,24-26,38-40H,3-9,12-14,16H2,1-2H3,(H,32,41)(H,33,35,36)/t20-,24-,25+,26+,31+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VXZWWKSQYWINGU-VGGQNZTHSA-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