General Information of the Compound
| Compound ID |
CP0863438
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
triPhosphoric acid-[2,3-dihydroxy-4-(6-methylamino-purin-9-yl)-bicyclo[3.1.0]hex-1-ylmethyl] ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H20N5O12P3
|
||||||||||||||||||
| Molecular Weight |
531.248
|
||||||||||||||||||
| Canonical SMILES |
CNc1ncnc2c1ncn2C1C(O)C(O)[C@@]2(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@@H]12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H20N5O12P3/c1-14-11-7-12(16-4-15-11)18(5-17-7)8-6-2-13(6,10(20)9(8)19)3-28-32(24,25)30-33(26,27)29-31(21,22)23/h4-6,8-10,19-20H,2-3H2,1H3,(H,24,25)(H,26,27)(H,14,15,16)(H2,21,22,23)/t6-,8?,9?,10?,13+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LOFJLBDIJJLJFZ-BTJSNGRKSA-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 | |||||||||||||||||||
| ChEMBL 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