General Information of the Compound
| Compound ID |
CP0845463
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| Compound Name |
2-amino-4-methyl-7-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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| Structure |
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| Formula |
C21H18N2O2
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| Molecular Weight |
330.387
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| Canonical SMILES |
CC1C(C#N)=C(N)OC2=C1C(=O)CC(c1cccc3ccccc13)C2
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| InChI |
InChI=1S/C21H18N2O2/c1-12-17(11-22)21(23)25-19-10-14(9-18(24)20(12)19)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,12,14H,9-10,23H2,1H3
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| InChIKey |
XZQMHUGTNOOYFX-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