General Information of the Compound
| Compound ID |
CP0554709
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| Compound Name |
1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)benzotriazole
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| Structure |
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| Formula |
C24H26N6O2S
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| Molecular Weight |
462.579
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)n1nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C24H26N6O2S/c1-3-17-15-25-24(26-16-17)29-12-10-20(11-13-29)30-23-9-6-19(14-22(23)27-28-30)18-4-7-21(8-5-18)33(2,31)32/h4-9,14-16,20H,3,10-13H2,1-2H3
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| InChIKey |
BSQQUJUEDAMHJB-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