General Information of the Compound
| Compound ID |
CP0917266
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| Compound Name |
(Z)-2-((E)-3-(3-nitrophenyl)-1-phenylallylidene)hydrazinecarbothioamide
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| Structure |
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| Formula |
C16H14N4O2S
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| Molecular Weight |
326.381
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| Canonical SMILES |
NC(=S)N/N=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1
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| InChI |
InChI=1S/C16H14N4O2S/c17-16(23)19-18-15(13-6-2-1-3-7-13)10-9-12-5-4-8-14(11-12)20(21)22/h1-11H,(H3,17,19,23)/b10-9+,18-15-
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| InChIKey |
XVPWAAHQFRCQNH-VZLAKPTRSA-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