General Information of the Compound
| Compound ID |
CP0875884
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| Compound Name |
(E)-4-hydroxy-3-methyl-but-2-enyl diphosphate
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| Structure |
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| Formula |
C6H11Na3O7P2
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| Molecular Weight |
326.065
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| Canonical SMILES |
C/C(=C\CCP(=O)([O-])OP(=O)([O-])[O-])CO.[Na+].[Na+].[Na+]
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| InChI |
InChI=1S/C6H14O7P2.3Na/c1-6(5-7)3-2-4-14(8,9)13-15(10,11)12;;;/h3,7H,2,4-5H2,1H3,(H,8,9)(H2,10,11,12);;;/q;3*+1/p-3/b6-3+;;;
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| InChIKey |
PHPOKDQSFOLAPS-LESCHLGKSA-K
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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