General Information of the Compound
| Compound ID |
CP0512841
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| Compound Name |
4-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyridin-2-yl]-N-methoxy-N-methylbenzamide
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| Structure |
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| Formula |
C26H31N5O3
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| Molecular Weight |
461.566
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(COc2ccc(nc2)-c2ccc(cc2)C(=O)N(C)OC)CC1
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| InChI |
InChI=1S/C26H31N5O3/c1-4-19-15-28-26(29-16-19)31-13-11-20(12-14-31)18-34-23-9-10-24(27-17-23)21-5-7-22(8-6-21)25(32)30(2)33-3/h5-10,15-17,20H,4,11-14,18H2,1-3H3
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| InChIKey |
LTGCYWZJTLQOES-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