General Information of the Compound
| Compound ID |
CP0851183
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| Compound Name |
benzyl 2-amino-7-hydroxy-4-(pyridin-3-yl)-4H-chromene-3-carboxylate
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| Structure |
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| Formula |
C22H18N2O4
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| Molecular Weight |
374.396
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| Canonical SMILES |
NC1=C(C(=O)OCc2ccccc2)C(c2cccnc2)c2ccc(O)cc2O1
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| InChI |
InChI=1S/C22H18N2O4/c23-21-20(22(26)27-13-14-5-2-1-3-6-14)19(15-7-4-10-24-12-15)17-9-8-16(25)11-18(17)28-21/h1-12,19,25H,13,23H2
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| InChIKey |
XFVAGJMRSYABLI-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