General Information of the Compound
| Compound ID |
CP0770003
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3R,4S,5R)-2-(4-amino-5-chloro-pyrrolo[2,3-d]pyrimidin-7-yl)-5-[[2-(methylamino)-7-quinolyl]oxymethyl]tetrahydrofuran-3,4-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21ClN6O4
|
||||||||||||||||||
| Molecular Weight |
456.89
|
||||||||||||||||||
| Canonical SMILES |
CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(Cl)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21ClN6O4/c1-24-15-5-3-10-2-4-11(6-13(10)27-15)31-8-14-17(29)18(30)21(32-14)28-7-12(22)16-19(23)25-9-26-20(16)28/h2-7,9,14,17-18,21,29-30H,8H2,1H3,(H,24,27)(H2,23,25,26)/t14-,17-,18-,21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HOFBJGYTQPUWCA-HAXDFEGKSA-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