General Information of the Compound
| Compound ID |
CP0435628
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| Compound Name |
3-(methoxymethyl)-5-(2-methylquinolin-7-yl)benzonitrile
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| Structure |
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| Formula |
C19H16N2O
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| Molecular Weight |
288.35
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| Canonical SMILES |
COCc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
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| InChI |
InChI=1S/C19H16N2O/c1-13-3-4-16-5-6-17(10-19(16)21-13)18-8-14(11-20)7-15(9-18)12-22-2/h3-10H,12H2,1-2H3
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| InChIKey |
VODJFWOLGVBSJY-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