General Information of the Compound
| Compound ID |
CP0952963
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3R,4S,5R)-5-[4-amino-5-(1H-pyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-fluoro-2-[[2-(methylamino)-7-quinolyl]oxymethyl]tetrahydrofuran-3-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23FN8O3
|
||||||||||||||||||
| Molecular Weight |
490.499
|
||||||||||||||||||
| Canonical SMILES |
CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5cc[nH]n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23FN8O3/c1-27-18-5-3-12-2-4-13(8-16(12)31-18)35-10-17-21(34)20(25)24(36-17)33-9-14(15-6-7-30-32-15)19-22(26)28-11-29-23(19)33/h2-9,11,17,20-21,24,34H,10H2,1H3,(H,27,31)(H,30,32)(H2,26,28,29)/t17-,20+,21-,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GPZIVZOMXUPDAH-CXEBNRJLSA-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