General Information of the Compound
| Compound ID |
CP0847321
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| Compound Name |
4-(2,4-dichlorophenyl)-2-(2-(2-methylcyclohexylidene)hydrazinyl)thiazole
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| Structure |
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| Formula |
C16H17Cl2N3S
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| Molecular Weight |
354.306
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| Canonical SMILES |
CC1CCCC/C1=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1
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| InChI |
InChI=1S/C16H17Cl2N3S/c1-10-4-2-3-5-14(10)20-21-16-19-15(9-22-16)12-7-6-11(17)8-13(12)18/h6-10H,2-5H2,1H3,(H,19,21)/b20-14+
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| InChIKey |
KRIKEQPXWUJINC-XSFVSMFZSA-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
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B