General Information of the Compound
| Compound ID |
CP0379572
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| Compound Name |
N-[5-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C26H29N5O3
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| Molecular Weight |
459.55
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| Canonical SMILES |
COc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(NC(C)=O)cc2)CC1
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| InChI |
InChI=1S/C26H29N5O3/c1-18(32)29-22-6-3-19(4-7-22)17-31-13-9-20(10-14-31)21-5-8-25(34-2)23(15-21)30-26(33)24-16-27-11-12-28-24/h3-8,11-12,15-16,20H,9-10,13-14,17H2,1-2H3,(H,29,32)(H,30,33)
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| InChIKey |
GJRLQXOSHNCWHF-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