General Information of the Compound
| Compound ID |
CP0917411
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| Compound Name |
cyclohexanaminium hydrogenfluoro(4-heptanamidophenyl)methylphosphonate
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| Structure |
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| Formula |
C20H34FN2O4P
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| Molecular Weight |
416.474
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| Canonical SMILES |
CCCCCCC(=O)Nc1ccc(C(F)P(=O)(O)O)cc1.NC1CCCCC1
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| InChI |
InChI=1S/C14H21FNO4P.C6H13N/c1-2-3-4-5-6-13(17)16-12-9-7-11(8-10-12)14(15)21(18,19)20;7-6-4-2-1-3-5-6/h7-10,14H,2-6H2,1H3,(H,16,17)(H2,18,19,20);6H,1-5,7H2
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| InChIKey |
ODRBRHIYINXZAU-UHFFFAOYSA-N
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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