General Information of the Compound
| Compound ID |
CP0858217
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| Compound Name |
[(2-Cyclohexylsulfanyl-5-nitro-phenyl)-hydroxy-methyl]-phosphonic acid
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| Structure |
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| Formula |
C13H18NO6PS
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| Molecular Weight |
347.329
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| Canonical SMILES |
O=[N+]([O-])c1ccc(SC2CCCCC2)c(C(O)P(=O)(O)O)c1
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| InChI |
InChI=1S/C13H18NO6PS/c15-13(21(18,19)20)11-8-9(14(16)17)6-7-12(11)22-10-4-2-1-3-5-10/h6-8,10,13,15H,1-5H2,(H2,18,19,20)
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| InChIKey |
KVEXQSADMFRANW-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