General Information of the Compound
| Compound ID |
CP0249538
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| Compound Name |
2-methoxy-N,N-dimethyl-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide
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| Structure |
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| Formula |
C26H30N4O2
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| Molecular Weight |
430.552
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| Canonical SMILES |
COc1cc(ccc1C(=O)N(C)C)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C
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| InChI |
InChI=1S/C26H30N4O2/c1-18-23(19-5-8-21(9-6-19)30-13-11-27-12-14-30)16-28-17-24(18)20-7-10-22(25(15-20)32-4)26(31)29(2)3/h5-10,15-17,27H,11-14H2,1-4H3
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| InChIKey |
ATQBMRLOIDKFJJ-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