General Information of the Compound
| Compound ID |
CP0430132
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S,4R)-N-ethyl-3,4-dihydroxy-5-[6-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfonylamino]phenyl]carbamoylamino]purin-9-yl]oxolane-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25N9O8S
|
||||||||||||||||||
| Molecular Weight |
587.575
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(NS(=O)(=O)c4cc(C)on4)cc3)ncnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N9O8S/c1-3-24-21(35)18-16(33)17(34)22(39-18)32-10-27-15-19(25-9-26-20(15)32)29-23(36)28-12-4-6-13(7-5-12)31-41(37,38)14-8-11(2)40-30-14/h4-10,16-18,22,31,33-34H,3H2,1-2H3,(H,24,35)(H2,25,26,28,29,36)/t16-,17+,18-,22?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CYIFVQMMHGFZCJ-OFRRTHGGSA-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