General Information of the Compound
| Compound ID |
CP0502273
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| Compound Name |
3-carboxamido coumarin, 47
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| Structure |
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| Formula |
C24H18ClNO4
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| Molecular Weight |
419.864
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| Canonical SMILES |
Cc1cccc(Cl)c1NC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O
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| InChI |
InChI=1S/C24H18ClNO4/c1-15-6-5-9-20(25)22(15)26-23(27)19-12-17-10-11-18(13-21(17)30-24(19)28)29-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,26,27)
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| InChIKey |
KZZQPCXGVIZFJB-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
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B