General Information of the Compound
| Compound ID |
CP0417759
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| Compound Name |
difluorocoumarin, 45
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| Structure |
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| Formula |
C21H13ClF2N2O3S
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| Molecular Weight |
446.862
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| Canonical SMILES |
Cc1ncsc1C(=O)N(Cc1cc(=O)oc2c(F)c(F)ccc12)c1cccc(Cl)c1
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| InChI |
InChI=1S/C21H13ClF2N2O3S/c1-11-20(30-10-25-11)21(28)26(14-4-2-3-13(22)8-14)9-12-7-17(27)29-19-15(12)5-6-16(23)18(19)24/h2-8,10H,9H2,1H3
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| InChIKey |
ZLSRTLYUCOQXSC-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