General Information of the Compound
| Compound ID |
CP0192179
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| Compound Name |
N-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]butan-1-amine
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| Structure |
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| Formula |
C19H21N5S2
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| Molecular Weight |
383.546
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| Canonical SMILES |
CCCCNCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
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| InChI |
InChI=1S/C19H21N5S2/c1-3-4-7-20-9-16-23-17(18(24-16)19-22-12(2)10-25-19)13-5-6-14-15(8-13)26-11-21-14/h5-6,8,10-11,20H,3-4,7,9H2,1-2H3,(H,23,24)
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| InChIKey |
XIWHMOSBSVZXIB-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