General Information of the Compound
| Compound ID |
CP0557854
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| Compound Name |
2-[(4-phenylphenyl)methylamino]-1,2-benzothiazol-3-one
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| Structure |
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| Formula |
C20H16N2OS
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| Molecular Weight |
332.428
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| Canonical SMILES |
O=c1n(NCc2ccc(cc2)-c2ccccc2)sc2ccccc12
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| InChI |
InChI=1S/C20H16N2OS/c23-20-18-8-4-5-9-19(18)24-22(20)21-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-13,21H,14H2
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| InChIKey |
BYSVIEOCSRECGJ-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