General Information of the Compound
| Compound ID |
CP0462658
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| Compound Name |
US9067871, 56
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| Structure |
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| Formula |
C23H25ClN2O3S2
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| Molecular Weight |
477.051
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| Canonical SMILES |
NC1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2C1Cc1cccc(Cl)c1
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| InChI |
InChI=1S/C23H25ClN2O3S2/c24-18-4-1-3-16(13-18)14-21-20-15-19(8-6-17(20)7-9-22(21)25)29-11-10-26-31(27,28)23-5-2-12-30-23/h1-6,8,12-13,15,21-22,26H,7,9-11,14,25H2
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| InChIKey |
GAPKQZHBJWOWGS-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