General Information of the Compound
| Compound ID |
CP0105780
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| Compound Name |
CHEBI:70655
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| Structure |
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| Formula |
C18H18O5
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| Molecular Weight |
314.337
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| Canonical SMILES |
COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccc(O)cc1
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| InChI |
InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-6-12-4-7-13(19)8-5-12/h4-9,19,21-22H,1-3H3/b9-6+
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| InChIKey |
HTDSMOBGCNRBHQ-RMKNXTFCSA-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
Protein ID: PT00018, Neuraminidase