General Information of the Compound
| Compound ID |
CP0304177
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| Compound Name |
3-(3-methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
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| Structure |
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| Formula |
C23H26N4O
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| Molecular Weight |
374.488
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| Canonical SMILES |
COc1cc(ccc1C)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C23H26N4O/c1-16-3-4-18(14-22(16)28-2)21-13-19(15-26-23(21)24)17-5-7-20(8-6-17)27-11-9-25-10-12-27/h3-8,13-15,25H,9-12H2,1-2H3,(H2,24,26)
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| InChIKey |
HXLKCKQQCOPUIT-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