General Information of the Compound
| Compound ID |
CP0571415
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| Compound Name |
4-(2-isothiocyanatoethyl)benzene-1,2-diol
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| Structure |
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| Formula |
C9H9NO2S
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| Molecular Weight |
195.243
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| Canonical SMILES |
Oc1ccc(CCN=C=S)cc1O
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| InChI |
InChI=1S/C9H9NO2S/c11-8-2-1-7(5-9(8)12)3-4-10-6-13/h1-2,5,11-12H,3-4H2
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| InChIKey |
PCQBHPIKVHRODR-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