General Information of the Compound
| Compound ID |
CP0905946
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| Compound Name |
(R)-4-(2,4-dichlorophenyl)-2-(2-(3-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 |
C[C@@H]1CCC/C(=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)C1
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| InChI |
InChI=1S/C16H17Cl2N3S/c1-10-3-2-4-12(7-10)20-21-16-19-15(9-22-16)13-6-5-11(17)8-14(13)18/h5-6,8-10H,2-4,7H2,1H3,(H,19,21)/b20-12-/t10-/m1/s1
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| InChIKey |
ICSPLQZPXDQLPF-TYYASITHSA-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