General Information of the Compound
| Compound ID |
CP0869652
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| Compound Name |
5'-deoxy-5'-benzyladenophostin A 2',3'',4''-trisphosphate
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| Structure |
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| Formula |
C23H32N5O17P3
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| Molecular Weight |
743.449
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| Canonical SMILES |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCc2ccccc2)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]2O)[C@H]1OP(=O)(O)O
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| InChI |
InChI=1S/C23H32N5O17P3/c24-20-14-21(26-9-25-20)28(10-27-14)22-19(45-48(37,38)39)16(12(40-22)7-6-11-4-2-1-3-5-11)42-23-15(30)18(44-47(34,35)36)17(13(8-29)41-23)43-46(31,32)33/h1-5,9-10,12-13,15-19,22-23,29-30H,6-8H2,(H2,24,25,26)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)/t12-,13-,15-,16-,17-,18-,19-,22-,23-/m1/s1
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| InChIKey |
NKJCSTFTMMDJRH-ZMRFOZOZSA-N
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| 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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound