General Information of the Compound
| Compound ID |
CP0538507
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| Compound Name |
3-(4-piperidin-4-ylphenyl)-5-(pyrazine-2-carbonylamino)benzoic acid
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| Structure |
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| Formula |
C23H22N4O3
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| Molecular Weight |
402.454
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| Canonical SMILES |
OC(=O)c1cc(NC(=O)c2cnccn2)cc(c1)-c1ccc(cc1)C1CCNCC1
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| InChI |
InChI=1S/C23H22N4O3/c28-22(21-14-25-9-10-26-21)27-20-12-18(11-19(13-20)23(29)30)16-3-1-15(2-4-16)17-5-7-24-8-6-17/h1-4,9-14,17,24H,5-8H2,(H,27,28)(H,29,30)
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| InChIKey |
FSXSJQSLCYEKDE-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