General Information of the Compound
| Compound ID |
CP0497775
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| Compound Name |
3-(Hydroxy-methyl-amino)-thioacrylic acid S-naphthalen-2-yl ester
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| Structure |
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| Formula |
C14H13NO2S
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| Molecular Weight |
259.33
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| Canonical SMILES |
CN(O)\C=C/C(=O)Sc1ccc2ccccc2c1
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| InChI |
InChI=1S/C14H13NO2S/c1-15(17)9-8-14(16)18-13-7-6-11-4-2-3-5-12(11)10-13/h2-10,17H,1H3/b9-8-
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| InChIKey |
LZPXLFGRWLNKMC-HJWRWDBZSA-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