General Information of the Compound
| Compound ID |
CP0406198
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| Compound Name |
1D-myo-inositol 4,5-bis(dihydrogen phosphate)
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| Synonyms |
1D-myo-inositol 4,5-bisphosphate
4,5,-IP2
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| Structure |
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| Formula |
C6H14O12P2
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| Molecular Weight |
340.114
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| Canonical SMILES |
O[C@H]1[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O
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| InChI |
InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2+,3-,4-,5+,6+/m0/s1
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| InChIKey |
MCKAJXMRULSUKI-UZAAGFTCSA-N
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| CAS |
93060-87-8
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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
Clinical Information about the Compound
Drug 1 ( 4,5,-IP2 )
| Drug Name | 4,5,-IP2 | ||
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