General Information of the Compound
| Compound ID |
CP0475000
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| Compound Name |
US10100018, Example 12
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| Structure |
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| Formula |
C28H21F2NO4
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| Molecular Weight |
473.475
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| Canonical SMILES |
OC(=O)c1ccc(CN(Cc2ccccc2F)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
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| InChI |
InChI=1S/C28H21F2NO4/c29-24-6-2-1-5-22(24)18-31(17-19-9-11-21(12-10-19)28(33)34)27(32)20-13-15-23(16-14-20)35-26-8-4-3-7-25(26)30/h1-16H,17-18H2,(H,33,34)
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| InChIKey |
PWSIYWWRGAIYIF-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