General Information of the Compound
| Compound ID |
CP0434390
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| Compound Name |
6-methoxy-N-[(4-pyridin-4-ylphenyl)methyl]-1,3-benzothiazole-2-carboxamide
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| Structure |
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| Formula |
C21H17N3O2S
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| Molecular Weight |
375.453
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| Canonical SMILES |
COc1ccc2nc(sc2c1)C(=O)NCc1ccc(cc1)-c1ccncc1
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| InChI |
InChI=1S/C21H17N3O2S/c1-26-17-6-7-18-19(12-17)27-21(24-18)20(25)23-13-14-2-4-15(5-3-14)16-8-10-22-11-9-16/h2-12H,13H2,1H3,(H,23,25)
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| InChIKey |
AIMNWWXTCPIRLB-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