General Information of the Compound
| Compound ID |
CP0073544
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| Compound Name |
US10301272, Example 6/13
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| Structure |
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| Formula |
C31H42N4O4S2
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| Molecular Weight |
598.835
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NCCN2CCOCC2)c2ccccc12
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| InChI |
InChI=1S/C31H42N4O4S2/c1-31(2,3)34-41(37,38)27-14-13-25(23-11-7-8-12-24(23)27)28-26(21-22-9-5-4-6-10-22)33-30(40-28)29(36)32-15-16-35-17-19-39-20-18-35/h7-8,11-14,22,34H,4-6,9-10,15-21H2,1-3H3,(H,32,36)
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| InChIKey |
GKKPHEJEMPOKNF-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