General Information of the Compound
| Compound ID |
CP0553734
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| Compound Name |
5-nitro-2-(2-phenylethyl)-1,2-benzothiazol-3-one
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| Structure |
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| Formula |
C15H12N2O3S
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| Molecular Weight |
300.339
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| Canonical SMILES |
[O-][N+](=O)c1ccc2sn(CCc3ccccc3)c(=O)c2c1
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| InChI |
InChI=1S/C15H12N2O3S/c18-15-13-10-12(17(19)20)6-7-14(13)21-16(15)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2
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| InChIKey |
SFKOLNOXNLIQGY-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