General Information of the Compound
| Compound ID |
CP0258428
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| Compound Name |
1-(2-fluoroethyl)-4-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine
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| Structure |
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| Formula |
C27H32FN3O3
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| Molecular Weight |
465.569
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CCF)CC1
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| InChI |
InChI=1S/C27H32FN3O3/c1-19-23(20-5-7-22(8-6-20)31-13-11-30(10-9-28)12-14-31)17-29-18-24(19)21-15-25(32-2)27(34-4)26(16-21)33-3/h5-8,15-18H,9-14H2,1-4H3
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| InChIKey |
SYKGLRAMBAKQDT-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