General Information of the Compound
| Compound ID |
CP0402421
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| Compound Name |
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-prop-2-ynoxybenzoyl)benzamide
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| Structure |
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| Formula |
C25H18N2O4S
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| Molecular Weight |
442.496
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| Canonical SMILES |
COc1ccc2nc(NC(=O)c3ccc(cc3)C(=O)c3ccc(OCC#C)cc3)sc2c1
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| InChI |
InChI=1S/C25H18N2O4S/c1-3-14-31-19-10-8-17(9-11-19)23(28)16-4-6-18(7-5-16)24(29)27-25-26-21-13-12-20(30-2)15-22(21)32-25/h1,4-13,15H,14H2,2H3,(H,26,27,29)
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| InChIKey |
NWSZMBDPBUPCIO-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