General Information of the Compound
| Compound ID |
CP0500814
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| Compound Name |
3-carboxamido coumarin, 53
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| Structure |
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| Formula |
C30H22FNO4
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| Molecular Weight |
479.507
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| Canonical SMILES |
Fc1ccc(COc2ccc3cc(C(=O)Nc4ccccc4Cc4ccccc4)c(=O)oc3c2)cc1
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| InChI |
InChI=1S/C30H22FNO4/c31-24-13-10-21(11-14-24)19-35-25-15-12-23-17-26(30(34)36-28(23)18-25)29(33)32-27-9-5-4-8-22(27)16-20-6-2-1-3-7-20/h1-15,17-18H,16,19H2,(H,32,33)
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| InChIKey |
UYPLGNSBYMWJFY-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