General Information of the Compound
| Compound ID |
CP0430095
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| Compound Name |
US10301272, Example 15/8
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| Structure |
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| Formula |
C29H37N3O5S3
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| Molecular Weight |
603.832
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NCC2CS(=O)(=O)C2)c2ccccc12
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| InChI |
InChI=1S/C29H37N3O5S3/c1-29(2,3)32-40(36,37)25-14-13-23(21-11-7-8-12-22(21)25)26-24(15-19-9-5-4-6-10-19)31-28(38-26)27(33)30-16-20-17-39(34,35)18-20/h7-8,11-14,19-20,32H,4-6,9-10,15-18H2,1-3H3,(H,30,33)
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| InChIKey |
GCVDJHPKFKRVFR-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