General Information of the Compound
| Compound ID |
CP0128561
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| Compound Name |
1-[4-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine
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| Structure |
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| Formula |
C24H27N3O3
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| Molecular Weight |
405.498
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1cncc(c1)-c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C24H27N3O3/c1-28-22-13-18(14-23(29-2)24(22)30-3)20-12-19(15-26-16-20)17-4-6-21(7-5-17)27-10-8-25-9-11-27/h4-7,12-16,25H,8-11H2,1-3H3
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| InChIKey |
WFZZPLAPENBNIY-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