General Information of the Compound
| Compound ID |
CP0525887
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| Compound Name |
4-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-N-prop-2-ynylbenzene-1,4-dicarboxamide
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| Structure |
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| Formula |
C19H15N3O3S
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| Molecular Weight |
365.414
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| Canonical SMILES |
COc1ccc2nc(NC(=O)c3ccc(cc3)C(=O)NCC#C)sc2c1
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| InChI |
InChI=1S/C19H15N3O3S/c1-3-10-20-17(23)12-4-6-13(7-5-12)18(24)22-19-21-15-9-8-14(25-2)11-16(15)26-19/h1,4-9,11H,10H2,2H3,(H,20,23)(H,21,22,24)
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| InChIKey |
OHMBEUUABMUSQV-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