General Information of the Compound
| Compound ID |
CP0369897
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| Compound Name |
US10301272, Example 6/46
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| Structure |
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| Formula |
C30H37N3O5S3
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| Molecular Weight |
615.843
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC3(C2)CS(=O)(=O)C3)c2ccccc12
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| InChI |
InChI=1S/C30H37N3O5S3/c1-29(2,3)32-41(37,38)25-14-13-23(21-11-7-8-12-22(21)25)26-24(15-20-9-5-4-6-10-20)31-27(39-26)28(34)33-16-30(17-33)18-40(35,36)19-30/h7-8,11-14,20,32H,4-6,9-10,15-19H2,1-3H3
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| InChIKey |
SYEFCMYUCXUVNI-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