General Information of the Compound
| Compound ID |
CP0390741
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| Compound Name |
N-[5-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-ethoxyphenyl]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C27H31N5O3
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| Molecular Weight |
473.577
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| Canonical SMILES |
CCOc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(NC(C)=O)cc2)CC1
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| InChI |
InChI=1S/C27H31N5O3/c1-3-35-26-9-6-22(16-24(26)31-27(34)25-17-28-12-13-29-25)21-10-14-32(15-11-21)18-20-4-7-23(8-5-20)30-19(2)33/h4-9,12-13,16-17,21H,3,10-11,14-15,18H2,1-2H3,(H,30,33)(H,31,34)
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| InChIKey |
QGAIBJYYYSALEK-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