General Information of the Compound
| Compound ID |
CP0273421
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| Compound Name |
Alendronate Sodium
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| Structure |
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| Formula |
C4H12NNaO7P2
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| Molecular Weight |
271.078
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| Canonical SMILES |
[Na+].NCCCC(O)(P(O)(O)=O)P(O)([O-])=O
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| InChI |
InChI=1S/C4H13NO7P2.Na/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);/q;+1/p-1
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| InChIKey |
CAKRAHQRJGUPIG-UHFFFAOYSA-M
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| CAS |
129318-43-0
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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