General Information of the Compound
| Compound ID |
CP0448392
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| Compound Name |
4-(4-fluorophenyl)-N-[(E)-(3-methylcyclopentylidene)amino]-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C15H16FN3S
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| Molecular Weight |
289.379
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| Canonical SMILES |
CC1CC\C(C1)=N/Nc1nc(cs1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C15H16FN3S/c1-10-2-7-13(8-10)18-19-15-17-14(9-20-15)11-3-5-12(16)6-4-11/h3-6,9-10H,2,7-8H2,1H3,(H,17,19)/b18-13+
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| InChIKey |
QVGAOOGWNRTQLQ-QGOAFFKASA-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