General Information of the Compound
| Compound ID |
CP0507245
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| Compound Name |
US10100018, Example 52
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| Structure |
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| Formula |
C27H26FNO4
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| Molecular Weight |
447.506
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| Canonical SMILES |
OC(=O)c1ccc(CN(CC2CCC2)C(=O)c2ccc(OCc3ccccc3F)cc2)cc1
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| InChI |
InChI=1S/C27H26FNO4/c28-25-7-2-1-6-23(25)18-33-24-14-12-21(13-15-24)26(30)29(16-19-4-3-5-19)17-20-8-10-22(11-9-20)27(31)32/h1-2,6-15,19H,3-5,16-18H2,(H,31,32)
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| InChIKey |
SQFNSQHVILJRSM-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