General Information of the Compound
| Compound ID |
CP0241642
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| Compound Name |
US10301272, Example 19/5
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| Structure |
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| Formula |
C28H38N4O4S2
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| Molecular Weight |
558.77
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1ncc(-c2sc(nc2CC2CCCCC2)C(=O)NCC(C)(C)O)c2ccccc12
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| InChI |
InChI=1S/C28H38N4O4S2/c1-27(2,3)32-38(35,36)26-20-14-10-9-13-19(20)21(16-29-26)23-22(15-18-11-7-6-8-12-18)31-25(37-23)24(33)30-17-28(4,5)34/h9-10,13-14,16,18,32,34H,6-8,11-12,15,17H2,1-5H3,(H,30,33)
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| InChIKey |
RPKZVBVTIACVGB-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