General Information of the Compound
| Compound ID |
CP0131798
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| Compound Name |
5-(4-(2-(benzo[d][1,3]dioxol-5-yl)ethylamino)-1-methyl-1H-imidazol-5-yl)-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
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| Structure |
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| Formula |
C21H19ClN6O3
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| Molecular Weight |
438.875
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| Canonical SMILES |
Cn1cnc(NCCc2ccc3OCOc3c2)c1-c1nnc(Nc2ccc(Cl)cc2)o1
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| InChI |
InChI=1S/C21H19ClN6O3/c1-28-11-24-19(23-9-8-13-2-7-16-17(10-13)30-12-29-16)18(28)20-26-27-21(31-20)25-15-5-3-14(22)4-6-15/h2-7,10-11,23H,8-9,12H2,1H3,(H,25,27)
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| InChIKey |
IKGJNEBAOUMBHM-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