General Information of the Compound
| Compound ID |
CP0560429
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| Compound Name |
disodium;[2-(5-butyltriazol-1-yl)-1-hydroxy-1-[hydroxy(oxido)phosphoryl]ethyl]-hydroxyphosphinate
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| Formula |
C8H15N3Na2O7P2
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| Molecular Weight |
373.15
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| Canonical SMILES |
[Na+].[Na+].CCCCc1cnnn1CC(O)(P(O)([O-])=O)P(O)([O-])=O
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| InChI |
InChI=1S/C8H17N3O7P2.2Na/c1-2-3-4-7-5-9-10-11(7)6-8(12,19(13,14)15)20(16,17)18;;/h5,12H,2-4,6H2,1H3,(H2,13,14,15)(H2,16,17,18);;/q;2*+1/p-2
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| InChIKey |
XTGUNEHHBFYKGK-UHFFFAOYSA-L
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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