General Information of the Compound
| Compound ID |
CP0903421
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| Compound Name |
cyclohexanaminium hydrogen-4-heptanamidobenzylphosphonate
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| Structure |
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| Formula |
C20H35N2O4P
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| Molecular Weight |
398.484
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| Canonical SMILES |
CCCCCCC(=O)Nc1ccc(CP(=O)(O)O)cc1.NC1CCCCC1
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| InChI |
InChI=1S/C14H22NO4P.C6H13N/c1-2-3-4-5-6-14(16)15-13-9-7-12(8-10-13)11-20(17,18)19;7-6-4-2-1-3-5-6/h7-10H,2-6,11H2,1H3,(H,15,16)(H2,17,18,19);6H,1-5,7H2
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| InChIKey |
PHYWNUFBFCAJSE-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