General Information of the Compound
| Compound ID |
CP0845021
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| Compound Name |
(S)-2-(2-(2-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 |
C[C@H]1CCCC/C1=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1
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| InChI |
InChI=1S/C16H18N4O2S/c1-11-4-2-3-5-14(11)18-19-16-17-15(10-23-16)12-6-8-13(9-7-12)20(21)22/h6-11H,2-5H2,1H3,(H,17,19)/b18-14+/t11-/m0/s1
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| InChIKey |
PSORHSVNOKESRG-KEVMXDQOSA-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