General Information of the Compound
| Compound ID |
CP0553733
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| Compound Name |
methyl 4-[[(3-oxo-1,2-benzothiazol-2-yl)amino]methyl]benzoate
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| Structure |
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| Formula |
C16H14N2O3S
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| Molecular Weight |
314.366
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| Canonical SMILES |
COC(=O)c1ccc(CNn2sc3ccccc3c2=O)cc1
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| InChI |
InChI=1S/C16H14N2O3S/c1-21-16(20)12-8-6-11(7-9-12)10-17-18-15(19)13-4-2-3-5-14(13)22-18/h2-9,17H,10H2,1H3
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| InChIKey |
JNUULGFTZZVLQV-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