General Information of the Compound
| Compound ID |
CP0578801
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| Compound Name |
N-(1,3-benzothiazol-5-yl)-1-quinolin-6-ylsulfonylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C22H20N4O3S2
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| Molecular Weight |
452.561
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| Canonical SMILES |
O=C(Nc1ccc2scnc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C22H20N4O3S2/c27-22(25-17-3-6-21-20(13-17)24-14-30-21)15-7-10-26(11-8-15)31(28,29)18-4-5-19-16(12-18)2-1-9-23-19/h1-6,9,12-15H,7-8,10-11H2,(H,25,27)
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| InChIKey |
PFKHBHUPNMRIFT-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