General Information of the Compound
| Compound ID |
CP0163626
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| Compound Name |
1-methyl-4-[[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]methyl]piperazine
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| Structure |
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| Formula |
C27H33N3O3
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| Molecular Weight |
447.579
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(CN2CCN(C)CC2)cc1
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| InChI |
InChI=1S/C27H33N3O3/c1-19-23(21-8-6-20(7-9-21)18-30-12-10-29(2)11-13-30)16-28-17-24(19)22-14-25(31-3)27(33-5)26(15-22)32-4/h6-9,14-17H,10-13,18H2,1-5H3
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| InChIKey |
KYFFOTIQIINKTF-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