General Information of the Compound
| Compound ID |
CP0011999
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| Compound Name |
US9745291, Compound 108
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| Structure |
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| Formula |
C25H34N4O5S
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| Molecular Weight |
502.637
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| Canonical SMILES |
CN1CCN(CC1)S(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C25H34N4O5S/c1-27-12-14-29(15-13-27)35(32,33)24-9-5-4-8-23(24)34-19-25(31)26-16-22(30)18-28-11-10-20-6-2-3-7-21(20)17-28/h2-9,22,30H,10-19H2,1H3,(H,26,31)
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| InChIKey |
FZRGBGQMTFNQHF-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