General Information of the Compound
| Compound ID |
CP0204821
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| Compound Name |
2,6-dimethoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide
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| Structure |
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| Formula |
C28H34N4O3
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| Molecular Weight |
474.605
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| Canonical SMILES |
COc1cc(cc(OC)c1C(N)=O)-c1cncc(-c2ccc(cc2)N2CCN(CC2)C(C)C)c1C
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| InChI |
InChI=1S/C28H34N4O3/c1-18(2)31-10-12-32(13-11-31)22-8-6-20(7-9-22)23-16-30-17-24(19(23)3)21-14-25(34-4)27(28(29)33)26(15-21)35-5/h6-9,14-18H,10-13H2,1-5H3,(H2,29,33)
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| InChIKey |
LRSOQWKCWLRMRR-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