General Information of the Compound
| Compound ID |
CP0341758
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| Compound Name |
US10080744, Example 1/1
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| Structure |
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| Formula |
C29H36N4O4S2
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| Molecular Weight |
568.765
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(o2)C(C)(C)O)c2ccccc12
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| InChI |
InChI=1S/C29H36N4O4S2/c1-28(2,3)33-39(35,36)23-16-15-21(19-13-9-10-14-20(19)23)24-22(17-18-11-7-6-8-12-18)30-26(38-24)25-31-32-27(37-25)29(4,5)34/h9-10,13-16,18,33-34H,6-8,11-12,17H2,1-5H3
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| InChIKey |
KGOHBXPHETUBJO-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