General Information of the Compound
| Compound ID |
CP0079582
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| Compound Name |
N-[3-[4-(1,3-benzodioxol-5-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]propyl]butanamide
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| Structure |
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| Formula |
C21H24N4O3S
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| Molecular Weight |
412.515
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| Canonical SMILES |
CCCC(=O)NCCCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C21H24N4O3S/c1-3-5-18(26)22-9-4-6-17-24-19(20(25-17)21-23-13(2)11-29-21)14-7-8-15-16(10-14)28-12-27-15/h7-8,10-11H,3-6,9,12H2,1-2H3,(H,22,26)(H,24,25)
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| InChIKey |
RVVACHANYFDAQP-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