General Information of the Compound
| Compound ID |
CP0351988
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| Compound Name |
1-[4-[5-(3,5-dimethoxyphenyl)-4-methylpyridin-3-yl]phenyl]piperazine
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| Structure |
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| Formula |
C24H27N3O2
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| Molecular Weight |
389.499
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| Canonical SMILES |
COc1cc(OC)cc(c1)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C24H27N3O2/c1-17-23(18-4-6-20(7-5-18)27-10-8-25-9-11-27)15-26-16-24(17)19-12-21(28-2)14-22(13-19)29-3/h4-7,12-16,25H,8-11H2,1-3H3
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| InChIKey |
MAOJHADEQAXYLF-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