General Information of the Compound
| Compound ID |
CP0424972
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| Compound Name |
(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl) 3-cyanobenzoate
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| Structure |
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| Formula |
C19H17NO4
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| Molecular Weight |
323.348
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| Canonical SMILES |
CC1(C)Oc2cc(OC(=O)c3cccc(c3)C#N)ccc2CC1O
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| InChI |
InChI=1S/C19H17NO4/c1-19(2)17(21)9-13-6-7-15(10-16(13)24-19)23-18(22)14-5-3-4-12(8-14)11-20/h3-8,10,17,21H,9H2,1-2H3
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| InChIKey |
OSAHOUFBMXGQCF-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