General Information of the Compound
| Compound ID |
CP0520753
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| Compound Name |
1-[(3-chloro-4-hydroxyphenyl)methyl]-5-hydroxy-2,3-dihydroindene-1-carbonitrile
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| Formula |
C17H14ClNO2
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| Molecular Weight |
299.757
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| Canonical SMILES |
Oc1ccc2c(CCC2(Cc2ccc(O)c(Cl)c2)C#N)c1
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| InChI |
InChI=1S/C17H14ClNO2/c18-15-7-11(1-4-16(15)21)9-17(10-19)6-5-12-8-13(20)2-3-14(12)17/h1-4,7-8,20-21H,5-6,9H2
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| InChIKey |
LEFJAKQCXGIQPQ-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