General Information of the Compound
| Compound ID |
CP0459729
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| Compound Name |
3-carboxamido coumarin, 41
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| Structure |
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| Formula |
C23H23NO4
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| Molecular Weight |
377.44
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| Canonical SMILES |
O=C(NC1CCCCC1)c1cc2ccc(OCc3ccccc3)cc2oc1=O
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| InChI |
InChI=1S/C23H23NO4/c25-22(24-18-9-5-2-6-10-18)20-13-17-11-12-19(14-21(17)28-23(20)26)27-15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2,(H,24,25)
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| InChIKey |
KSVJRMDHPQQMRA-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