General Information of the Compound
| Compound ID |
CP0645518
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| Compound Name |
ethyl 2-amino-6-methyl-4-(1-cyano-2-ethoxy-2-oxoethyl)-4Hchromene-3-carboxylate
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| Structure |
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| Formula |
C18H20N2O5
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| Molecular Weight |
344.367
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| Canonical SMILES |
CCOC(=O)C1=C(N)Oc2ccc(C)cc2C1C(C#N)C(=O)OCC
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| InChI |
InChI=1S/C18H20N2O5/c1-4-23-17(21)12(9-19)14-11-8-10(3)6-7-13(11)25-16(20)15(14)18(22)24-5-2/h6-8,12,14H,4-5,20H2,1-3H3
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| InChIKey |
TUBRNFIFFYPWSN-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