General Information of the Compound
| Compound ID |
CP0059959
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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]butanamide
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| Structure |
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| Formula |
C19H19N5OS2
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| Molecular Weight |
397.529
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| Canonical SMILES |
CCCC(=O)NCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
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| InChI |
InChI=1S/C19H19N5OS2/c1-3-4-16(25)20-8-15-23-17(18(24-15)19-22-11(2)9-26-19)12-5-6-13-14(7-12)27-10-21-13/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,25)(H,23,24)
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| InChIKey |
OKFUFEJJSJNOTF-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