General Information of the Compound
| Compound ID |
CP0531616
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| Compound Name |
US10301272, Example 300/11
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| Structure |
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| Formula |
C27H35N3O5S3
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| Molecular Weight |
577.794
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2C(C)(C)C)C(=O)NC2CCS(=O)(=O)CC2)c2ccccc12
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| InChI |
InChI=1S/C27H35N3O5S3/c1-26(2,3)23-22(36-25(29-23)24(31)28-17-13-15-37(32,33)16-14-17)20-11-12-21(19-10-8-7-9-18(19)20)38(34,35)30-27(4,5)6/h7-12,17,30H,13-16H2,1-6H3,(H,28,31)
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| InChIKey |
IENUAHONTOGODN-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