General Information of the Compound
| Compound ID |
CP0523431
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| Compound Name |
2-[3-[6-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-2-methoxypyrimidin-4-yl]phenyl]-2-methylpropanoic acid
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| Structure |
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| Formula |
C25H27N3O4
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| Molecular Weight |
433.508
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| Canonical SMILES |
COc1nc(NCC2OCCc3ccccc23)cc(n1)-c1cccc(c1)C(C)(C)C(O)=O
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| InChI |
InChI=1S/C25H27N3O4/c1-25(2,23(29)30)18-9-6-8-17(13-18)20-14-22(28-24(27-20)31-3)26-15-21-19-10-5-4-7-16(19)11-12-32-21/h4-10,13-14,21H,11-12,15H2,1-3H3,(H,29,30)(H,26,27,28)
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| InChIKey |
IPPGLWFBERIWET-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