General Information of the Compound
| Compound ID |
CP0535568
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| Compound Name |
US8653100, 112
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| Structure |
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| Formula |
C28H31ClN2O3S
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| Molecular Weight |
511.087
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| Canonical SMILES |
Clc1ccc(cc1)C1(CCC1)C1NCCc2ccc(OCCCS(=O)(=O)Nc3ccccc3)cc12
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| InChI |
InChI=1S/C28H31ClN2O3S/c29-23-11-9-22(10-12-23)28(15-4-16-28)27-26-20-25(13-8-21(26)14-17-30-27)34-18-5-19-35(32,33)31-24-6-2-1-3-7-24/h1-3,6-13,20,27,30-31H,4-5,14-19H2
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| InChIKey |
LURIDLSLHFGGET-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