General Information of the Compound
| Compound ID |
CP0562843
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| Compound Name |
N-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(piperidine-1-carbonyl)benzamide
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| Structure |
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| Formula |
C27H24ClN3O2S2
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| Molecular Weight |
522.095
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| Canonical SMILES |
Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCCC4)cc3s2)cc1
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| InChI |
InChI=1S/C27H24ClN3O2S2/c28-19-10-8-18(9-11-19)17-34-27-30-23-13-12-20(16-24(23)35-27)29-25(32)21-6-2-3-7-22(21)26(33)31-14-4-1-5-15-31/h2-3,6-13,16H,1,4-5,14-15,17H2,(H,29,32)
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| InChIKey |
BIVOHFPBNHLACQ-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