General Information of the Compound
| Compound ID |
CP0513792
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| Compound Name |
disodium;[2-(4-hexyltriazol-1-yl)-1-hydroxy-1-[hydroxy(oxido)phosphoryl]ethyl]-hydroxyphosphinate
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| Formula |
C10H19N3Na2O7P2
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| Molecular Weight |
401.204
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| Canonical SMILES |
[Na+].[Na+].CCCCCCc1cn(CC(O)(P(O)([O-])=O)P(O)([O-])=O)nn1
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| InChI |
InChI=1S/C10H21N3O7P2.2Na/c1-2-3-4-5-6-9-7-13(12-11-9)8-10(14,21(15,16)17)22(18,19)20;;/h7,14H,2-6,8H2,1H3,(H2,15,16,17)(H2,18,19,20);;/q;2*+1/p-2
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| InChIKey |
IUYMSGCGWSEUQO-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