General Information of the Compound
| Compound ID |
CP0944330
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2S,3R,5S)-3-[4-amino-5-(hydroxymethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-[2-[2-(methylamino)-7-quinolyl]ethyl]cyclopentane-1,2-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28N6O3
|
||||||||||||||||||
| Molecular Weight |
448.527
|
||||||||||||||||||
| Canonical SMILES |
CNc1ccc2ccc(CC[C@H]3C[C@@H](n4cc(CO)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N6O3/c1-26-19-7-6-14-4-2-13(8-17(14)29-19)3-5-15-9-18(22(33)21(15)32)30-10-16(11-31)20-23(25)27-12-28-24(20)30/h2,4,6-8,10,12,15,18,21-22,31-33H,3,5,9,11H2,1H3,(H,26,29)(H2,25,27,28)/t15-,18+,21+,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YONOTRKVJDBWHH-OZPQRRJYSA-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