General Information of the Compound
| Compound ID |
CP0353858
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| Compound Name |
US10301272, Example 6/49
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| Structure |
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| Formula |
C31H39N3O5S2
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| Molecular Weight |
597.803
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CCC(C)(C2)C(O)=O)c2ccccc12
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| InChI |
InChI=1S/C31H39N3O5S2/c1-30(2,3)33-41(38,39)25-15-14-23(21-12-8-9-13-22(21)25)26-24(18-20-10-6-5-7-11-20)32-27(40-26)28(35)34-17-16-31(4,19-34)29(36)37/h8-9,12-15,20,33H,5-7,10-11,16-19H2,1-4H3,(H,36,37)
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| InChIKey |
LQIMYRLGJBRBMG-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