General Information of the Compound
| Compound ID |
CP0546139
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]prop-2-ynyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H24N6O5
|
||||||||||||||||||
| Molecular Weight |
500.515
|
||||||||||||||||||
| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(cc3)C#CCNC(=O)c3ccccc3)ncnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H24N6O5/c33-13-19-21(34)22(35)26(37-19)32-15-30-20-23(28-14-29-24(20)32)31-18-10-8-16(9-11-18)5-4-12-27-25(36)17-6-2-1-3-7-17/h1-3,6-11,14-15,19,21-22,26,33-35H,12-13H2,(H,27,36)(H,28,29,31)/t19-,21-,22-,26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PLMNEORRSOTQPT-RKCWLVDCSA-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