General Information of the Compound
| Compound ID |
CP0451566
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| Compound Name |
US10301272, Example 6/17
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| Structure |
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| Formula |
C31H37N3O5S2
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| Molecular Weight |
595.787
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NC23CC(C2)(C3)C(O)=O)c2ccccc12
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| InChI |
InChI=1S/C31H37N3O5S2/c1-29(2,3)34-41(38,39)24-14-13-22(20-11-7-8-12-21(20)24)25-23(15-19-9-5-4-6-10-19)32-27(40-25)26(35)33-31-16-30(17-31,18-31)28(36)37/h7-8,11-14,19,34H,4-6,9-10,15-18H2,1-3H3,(H,33,35)(H,36,37)
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| InChIKey |
IXZNFUVIMHGHCV-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