General Information of the Compound
| Compound ID |
CP0079581
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| Compound Name |
N-[2-[4-(1,3-benzodioxol-5-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]ethyl]butanamide
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| Structure |
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| Formula |
C20H22N4O3S
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| Molecular Weight |
398.488
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| Canonical SMILES |
CCCC(=O)NCCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C20H22N4O3S/c1-3-4-17(25)21-8-7-16-23-18(19(24-16)20-22-12(2)10-28-20)13-5-6-14-15(9-13)27-11-26-14/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,21,25)(H,23,24)
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| InChIKey |
BFLJCYJPSKAJMZ-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