General Information of the Compound
| Compound ID |
CP0434760
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| Compound Name |
3-carboxamido coumarin, 33
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| Structure |
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| Formula |
C16H6F5NO3
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| Molecular Weight |
355.218
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| Canonical SMILES |
Fc1c(F)c(F)c(NC(=O)c2cc3ccccc3oc2=O)c(F)c1F
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| InChI |
InChI=1S/C16H6F5NO3/c17-9-10(18)12(20)14(13(21)11(9)19)22-15(23)7-5-6-3-1-2-4-8(6)25-16(7)24/h1-5H,(H,22,23)
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| InChIKey |
TZIVSIXQHSQQNV-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