General Information of the Compound
| Compound ID |
CP0532281
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| Compound Name |
5-hydroxy-1-[(4-hydroxy-3-methylphenyl)methyl]-2,3-dihydroindene-1-carbonitrile
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| Formula |
C18H17NO2
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| Molecular Weight |
279.339
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| Canonical SMILES |
Cc1cc(CC2(CCc3cc(O)ccc23)C#N)ccc1O
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| InChI |
InChI=1S/C18H17NO2/c1-12-8-13(2-5-17(12)21)10-18(11-19)7-6-14-9-15(20)3-4-16(14)18/h2-5,8-9,20-21H,6-7,10H2,1H3
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| InChIKey |
DCYWQJDQZNEBGT-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