General Information of the Compound
| Compound ID |
CP0434748
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| Compound Name |
5-[(4-bromophenyl)methyl]-N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C17H17BrN2OS
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| Molecular Weight |
377.307
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| Canonical SMILES |
COc1ccc(NC2=NCC(Cc3ccc(Br)cc3)S2)cc1
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| InChI |
InChI=1S/C17H17BrN2OS/c1-21-15-8-6-14(7-9-15)20-17-19-11-16(22-17)10-12-2-4-13(18)5-3-12/h2-9,16H,10-11H2,1H3,(H,19,20)
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| InChIKey |
PEDWTSPDIWXPOU-UHFFFAOYSA-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1