General Information of the Compound
| Compound ID |
CP0476199
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| Compound Name |
US10100018, Example 7
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| Structure |
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| Formula |
C27H26FNO5
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| Molecular Weight |
463.505
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| Canonical SMILES |
COC1CC(CN(Cc2ccc(cc2)C(O)=O)C(=O)c2ccc(Oc3ccccc3F)cc2)C1
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| InChI |
InChI=1S/C27H26FNO5/c1-33-23-14-19(15-23)17-29(16-18-6-8-21(9-7-18)27(31)32)26(30)20-10-12-22(13-11-20)34-25-5-3-2-4-24(25)28/h2-13,19,23H,14-17H2,1H3,(H,31,32)
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| InChIKey |
MEBSTCAWUQVIOV-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