General Information of the Compound
| Compound ID |
CP0212148
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| Compound Name |
US9035059, 14-16
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| Structure |
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| Formula |
C26H28FN3O4S
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| Molecular Weight |
497.592
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| Canonical SMILES |
COc1ccc(NS(=O)(=O)c2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)C(C)(C)C)c(F)c1
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| InChI |
InChI=1S/C26H28FN3O4S/c1-26(2,3)19-6-8-20(9-7-19)28-25(31)30-15-17-5-11-22(13-18(17)16-30)35(32,33)29-24-12-10-21(34-4)14-23(24)27/h5-14,29H,15-16H2,1-4H3,(H,28,31)
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| InChIKey |
GQLKMXITVGKKIC-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