General Information of the Compound
| Compound ID |
CP0495259
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| Compound Name |
2-[4-morpholinyl(oxo)methyl]-N-[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]benzamide
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| Structure |
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| Formula |
C26H23N3O3S2
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| Molecular Weight |
489.622
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| Canonical SMILES |
O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)c1ccccc1C(=O)N1CCOCC1
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| InChI |
InChI=1S/C26H23N3O3S2/c30-24(20-8-4-5-9-21(20)25(31)29-12-14-32-15-13-29)27-19-10-11-22-23(16-19)34-26(28-22)33-17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,30)
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| InChIKey |
SMQYPFQTOYXWJD-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