General Information of the Compound
| Compound ID |
CP0568914
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| Compound Name |
5-(4-fluorophenyl)-N-methyl-16-methylsulfonyl-4-oxa-16-azatricyclo[7.7.0.03,7]hexadeca-1,3(7),5,8-tetraene-6-carboxamide
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| Structure |
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| Formula |
C23H25FN2O4S
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| Molecular Weight |
444.528
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| Canonical SMILES |
CNC(=O)c1c(oc2cc3N(CCCCCCc3cc12)S(C)(=O)=O)-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H25FN2O4S/c1-25-23(27)21-18-13-16-7-5-3-4-6-12-26(31(2,28)29)19(16)14-20(18)30-22(21)15-8-10-17(24)11-9-15/h8-11,13-14H,3-7,12H2,1-2H3,(H,25,27)
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| InChIKey |
IMYUHINYNGDKOC-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