General Information of the Compound
| Compound ID |
CP0533933
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| Compound Name |
tetrasodium;2-imidazol-1-yl-1,1-diphosphonatoethanol
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| Formula |
C5H6N2Na4O7P2
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| Molecular Weight |
360.018
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| Canonical SMILES |
[Na+].[Na+].[Na+].[Na+].OC(Cn1ccnc1)(P([O-])([O-])=O)P([O-])([O-])=O
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| InChI |
InChI=1S/C5H10N2O7P2.4Na/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7;;;;/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14);;;;/q;4*+1/p-4
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| InChIKey |
SNFWCIIALJJYJU-UHFFFAOYSA-J
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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
Protein ID: PT00947, Geranylgeranyl pyrophosphate synthase