General Information of the Compound
| Compound ID |
CP0515594
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| Compound Name |
US10301272, Example 8/2
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| Structure |
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| Formula |
C25H31N3O3S2
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| Molecular Weight |
485.675
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(N)=O)c2ccccc12
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| InChI |
InChI=1S/C25H31N3O3S2/c1-25(2,3)28-33(30,31)21-14-13-19(17-11-7-8-12-18(17)21)22-20(27-24(32-22)23(26)29)15-16-9-5-4-6-10-16/h7-8,11-14,16,28H,4-6,9-10,15H2,1-3H3,(H2,26,29)
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| InChIKey |
UYKPRQBCYSIDQS-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