General Information of the Compound
| Compound ID |
CP0329734
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| Compound Name |
1-[4-[4-fluoro-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine
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| Structure |
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| Formula |
C24H26FN3O3
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| Molecular Weight |
423.488
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1cncc(c1F)-c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C24H26FN3O3/c1-29-21-12-17(13-22(30-2)24(21)31-3)20-15-27-14-19(23(20)25)16-4-6-18(7-5-16)28-10-8-26-9-11-28/h4-7,12-15,26H,8-11H2,1-3H3
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| InChIKey |
NYYYLFUSXWJOML-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