General Information of the Compound
| Compound ID |
CP0673671
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| Compound Name |
SID51085196
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| Structure |
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| Formula |
C16H19ClN4O5S
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| Molecular Weight |
414.871
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| Canonical SMILES |
CC(C)N1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])o3)c2C(N)=O)C1.Cl
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| InChI |
InChI=1S/C16H18N4O5S.ClH/c1-8(2)19-6-5-9-11(7-19)26-16(13(9)14(17)21)18-15(22)10-3-4-12(25-10)20(23)24;/h3-4,8H,5-7H2,1-2H3,(H2,17,21)(H,18,22);1H
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| InChIKey |
YLSJCLHYLGHZHZ-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