General Information of the Compound
| Compound ID |
CP0563828
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| Compound Name |
US9067871, 60
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| Structure |
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| Formula |
C28H33ClN2O5S2
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| Molecular Weight |
577.168
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| Canonical SMILES |
CCOC(=O)NC1CCc2ccc(OCCNS(=O)(=O)c3cc(C)sc3C)cc2C1Cc1cccc(Cl)c1
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| InChI |
InChI=1S/C28H33ClN2O5S2/c1-4-35-28(32)31-26-11-9-21-8-10-23(17-24(21)25(26)16-20-6-5-7-22(29)15-20)36-13-12-30-38(33,34)27-14-18(2)37-19(27)3/h5-8,10,14-15,17,25-26,30H,4,9,11-13,16H2,1-3H3,(H,31,32)
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| InChIKey |
AWPSSYWKQJZGES-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