General Information of the Compound
| Compound ID |
CP0388419
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| Compound Name |
N-[(E)-(2-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C16H19N3S
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| Molecular Weight |
285.416
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| Canonical SMILES |
CC1CCCC\C1=N/Nc1nc(cs1)-c1ccccc1
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| InChI |
InChI=1S/C16H19N3S/c1-12-7-5-6-10-14(12)18-19-16-17-15(11-20-16)13-8-3-2-4-9-13/h2-4,8-9,11-12H,5-7,10H2,1H3,(H,17,19)/b18-14+
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| InChIKey |
COGBCEGBFYNSQK-NBVRZTHBSA-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