General Information of the Compound
| Compound ID |
CP0939807
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| Compound Name |
(Z)-2-((E)-1-(4-chlorophenyl)-3-phenylallylidene)hydrazinecarbothioamide
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| Structure |
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| Formula |
C16H14ClN3S
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| Molecular Weight |
315.829
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| Canonical SMILES |
NC(=S)N/N=C(/C=C/c1ccccc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C16H14ClN3S/c17-14-9-7-13(8-10-14)15(19-20-16(18)21)11-6-12-4-2-1-3-5-12/h1-11H,(H3,18,20,21)/b11-6+,19-15-
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| InChIKey |
WBTWFIPDALFVPX-YVODRVRBSA-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