General Information of the Compound
| Compound ID |
CP0950638
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-amino-5-[[[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-5-yl]methylamino]methyl]-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]hexanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H38N10O9
|
||||||||||||||||||
| Molecular Weight |
634.651
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CNCC(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H38N10O9/c27-13(25(41)42)2-1-11(3-15-19(39)20(40)24(45-15)36-10-33-18-22(29)31-9-32-23(18)36)5-30-6-12-7-35(26(43)34-21(12)28)17-4-14(38)16(8-37)44-17/h7,9-11,13-17,19-20,24,30,37-40H,1-6,8,27H2,(H,41,42)(H2,28,34,43)(H2,29,31,32)/t11?,13-,14-,15+,16+,17+,19+,20+,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MNRSVIIRRAFASZ-YFPVXSAQSA-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