General Information of the Compound
| Compound ID |
CP0563223
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| Compound Name |
US9067871, 70
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| Structure |
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| Formula |
C21H27ClN2O3S
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| Molecular Weight |
422.978
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| Canonical SMILES |
CCS(=O)(=O)NCCOc1ccc2CCC(N)C(Cc3cccc(Cl)c3)c2c1
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| InChI |
InChI=1S/C21H27ClN2O3S/c1-2-28(25,26)24-10-11-27-18-8-6-16-7-9-21(23)20(19(16)14-18)13-15-4-3-5-17(22)12-15/h3-6,8,12,14,20-21,24H,2,7,9-11,13,23H2,1H3
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| InChIKey |
AAOLYDYTKBHYAX-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