General Information of the Compound
| Compound ID |
CP0430073
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| Compound Name |
US10301272, Example 6/10
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| Structure |
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| Formula |
C32H41N3O5S2
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| Molecular Weight |
611.83
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC(C2)C(C)(C)C(O)=O)c2ccccc12
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| InChI |
InChI=1S/C32H41N3O5S2/c1-31(2,3)34-42(39,40)26-16-15-24(22-13-9-10-14-23(22)26)27-25(17-20-11-7-6-8-12-20)33-28(41-27)29(36)35-18-21(19-35)32(4,5)30(37)38/h9-10,13-16,20-21,34H,6-8,11-12,17-19H2,1-5H3,(H,37,38)
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| InChIKey |
NKUTUPAMPBDAJJ-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