General Information of the Compound
| Compound ID |
CP0268256
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| Compound Name |
US10301272, Example 6/4
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| Structure |
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| Formula |
C29H39N3O4S2
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| Molecular Weight |
557.782
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NCC(C)(C)O)c2ccccc12
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| InChI |
InChI=1S/C29H39N3O4S2/c1-28(2,3)32-38(35,36)24-16-15-22(20-13-9-10-14-21(20)24)25-23(17-19-11-7-6-8-12-19)31-27(37-25)26(33)30-18-29(4,5)34/h9-10,13-16,19,32,34H,6-8,11-12,17-18H2,1-5H3,(H,30,33)
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| InChIKey |
YBTHMLBUJBBJME-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