General Information of the Compound
| Compound ID |
CP0423902
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| Compound Name |
1-[4-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C27H31N3O4
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| Molecular Weight |
461.562
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C27H31N3O4/c1-18-23(20-6-8-22(9-7-20)30-12-10-29(11-13-30)19(2)31)16-28-17-24(18)21-14-25(32-3)27(34-5)26(15-21)33-4/h6-9,14-17H,10-13H2,1-5H3
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| InChIKey |
OCAPISKJZHIUCN-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