General Information of the Compound
| Compound ID |
CP0128559
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| Compound Name |
3-(4-chloro-3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
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| Structure |
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| Formula |
C22H23ClN4O
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| Molecular Weight |
394.906
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| Canonical SMILES |
COc1cc(ccc1Cl)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C22H23ClN4O/c1-28-21-13-16(4-7-20(21)23)19-12-17(14-26-22(19)24)15-2-5-18(6-3-15)27-10-8-25-9-11-27/h2-7,12-14,25H,8-11H2,1H3,(H2,24,26)
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| InChIKey |
HTNAMLRIFFJKLH-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