General Information of the Compound
| Compound ID |
CP0390745
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| Compound Name |
N-[5-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide
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| Structure |
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| Formula |
C28H31N3O3
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| Molecular Weight |
457.574
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| Canonical SMILES |
COc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(NC(C)=O)cc2)CC1
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| InChI |
InChI=1S/C28H31N3O3/c1-20(32)29-25-11-8-21(9-12-25)19-31-16-14-22(15-17-31)24-10-13-27(34-2)26(18-24)30-28(33)23-6-4-3-5-7-23/h3-13,18,22H,14-17,19H2,1-2H3,(H,29,32)(H,30,33)
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| InChIKey |
KQUVWNOILRBMSY-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