General Information of the Compound
| Compound ID |
CP0553034
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| Compound Name |
5-(4-(hydroxymethyl)piperidin-1-yl)-N-(2-methyl-2-phenylpropyl)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C21H28N4O2
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| Molecular Weight |
368.481
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| Canonical SMILES |
CC(C)(CNC(=O)c1cnc(cn1)N1CCC(CO)CC1)c1ccccc1
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| InChI |
InChI=1S/C21H28N4O2/c1-21(2,17-6-4-3-5-7-17)15-24-20(27)18-12-23-19(13-22-18)25-10-8-16(14-26)9-11-25/h3-7,12-13,16,26H,8-11,14-15H2,1-2H3,(H,24,27)
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| InChIKey |
BVJNKIJCWGTNAL-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