General Information of the Compound
| Compound ID |
CP0515759
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| Compound Name |
US9428456, 2.073
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| Structure |
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| Formula |
C20H25N3O2S
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| Molecular Weight |
371.506
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| Canonical SMILES |
CN(C)C(=O)C1CCN(Cc2cccc(NC(=O)c3cccs3)c2)CC1
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| InChI |
InChI=1S/C20H25N3O2S/c1-22(2)20(25)16-8-10-23(11-9-16)14-15-5-3-6-17(13-15)21-19(24)18-7-4-12-26-18/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,21,24)
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| InChIKey |
OKIZNBZMEZTTHN-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