General Information of the Compound
| Compound ID |
CP0562834
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| Compound Name |
N-[2-[1-(4-chlorophenyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-(morpholine-4-carbonyl)benzamide
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| Structure |
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| Formula |
C27H24ClN3O3S2
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| Molecular Weight |
538.094
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| Canonical SMILES |
CC(Sc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H24ClN3O3S2/c1-17(18-6-8-19(28)9-7-18)35-27-30-23-11-10-20(16-24(23)36-27)29-25(32)21-4-2-3-5-22(21)26(33)31-12-14-34-15-13-31/h2-11,16-17H,12-15H2,1H3,(H,29,32)
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| InChIKey |
IIMGUSVNJTYTJY-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