General Information of the Compound
| Compound ID |
CP0143996
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| Compound Name |
2-(methoxymethyl)-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide
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| Structure |
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| Formula |
C25H28N4O2
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| Molecular Weight |
416.525
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| Canonical SMILES |
COCc1cc(ccc1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C25H28N4O2/c1-17-23(18-3-6-21(7-4-18)29-11-9-27-10-12-29)14-28-15-24(17)19-5-8-22(25(26)30)20(13-19)16-31-2/h3-8,13-15,27H,9-12,16H2,1-2H3,(H2,26,30)
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| InChIKey |
JTJPHALUBHQPRG-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