General Information of the Compound
| Compound ID |
CP0547476
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| Compound Name |
US9428456, 2.072
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| Structure |
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| Formula |
C19H23N3O2S
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| Molecular Weight |
357.479
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| Canonical SMILES |
CNC(=O)C1CCN(Cc2cccc(NC(=O)c3cccs3)c2)CC1
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| InChI |
InChI=1S/C19H23N3O2S/c1-20-18(23)15-7-9-22(10-8-15)13-14-4-2-5-16(12-14)21-19(24)17-6-3-11-25-17/h2-6,11-12,15H,7-10,13H2,1H3,(H,20,23)(H,21,24)
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| InChIKey |
NVMIRTQMEMUHSJ-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