General Information of the Compound
| Compound ID |
CP0845597
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| Compound Name |
2-(2-(3-methylcyclohexylidene)hydrazinyl)-4-(4-nitrophenyl)thiazole
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| Structure |
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| Formula |
C16H18N4O2S
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| Molecular Weight |
330.413
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| Canonical SMILES |
CC1CCC/C(=N/Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1
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| InChI |
InChI=1S/C16H18N4O2S/c1-11-3-2-4-13(9-11)18-19-16-17-15(10-23-16)12-5-7-14(8-6-12)20(21)22/h5-8,10-11H,2-4,9H2,1H3,(H,17,19)/b18-13-
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| InChIKey |
ZGGJKXURIHNGMO-AQTBWJFISA-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