General Information of the Compound
| Compound ID |
CP0051684
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]acetamide
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| Structure |
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| Formula |
C22H24N6O3
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| Molecular Weight |
420.473
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| Canonical SMILES |
O=C(CC1CCCCN1c1cc(ncn1)-n1ccnc1)NCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C22H24N6O3/c29-22(24-12-16-4-5-18-19(9-16)31-15-30-18)10-17-3-1-2-7-28(17)21-11-20(25-13-26-21)27-8-6-23-14-27/h4-6,8-9,11,13-14,17H,1-3,7,10,12,15H2,(H,24,29)
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| InChIKey |
XLIZPIPYSZBNFC-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