General Information of the Compound
| Compound ID |
CP0867000
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| Compound Name |
2-amino-4-methyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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| Structure |
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| Formula |
C17H16N2O2
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| Molecular Weight |
280.327
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| Canonical SMILES |
CC1C(C#N)=C(N)OC2=C1C(=O)CC(c1ccccc1)C2
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| InChI |
InChI=1S/C17H16N2O2/c1-10-13(9-18)17(19)21-15-8-12(7-14(20)16(10)15)11-5-3-2-4-6-11/h2-6,10,12H,7-8,19H2,1H3
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| InChIKey |
XPUAIYQLZQFQRL-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