General Information of the Compound
| Compound ID |
CP0116192
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| Compound Name |
(E)-3-[3-[(3,4-dimethylphenyl)carbamoyl]-4-oxochromen-6-yl]prop-2-enoic acid
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| Structure |
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| Formula |
C21H17NO5
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| Molecular Weight |
363.369
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| Canonical SMILES |
Cc1ccc(NC(=O)c2coc3ccc(\C=C\C(O)=O)cc3c2=O)cc1C
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| InChI |
InChI=1S/C21H17NO5/c1-12-3-6-15(9-13(12)2)22-21(26)17-11-27-18-7-4-14(5-8-19(23)24)10-16(18)20(17)25/h3-11H,1-2H3,(H,22,26)(H,23,24)/b8-5+
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| InChIKey |
XHXQSDWCRTXPQX-VMPITWQZSA-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