General Information of the Compound
| Compound ID |
CP0427295
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| Compound Name |
6-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one
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| Structure |
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| Formula |
C21H20N4O4
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| Molecular Weight |
392.415
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| Canonical SMILES |
COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc3[nH]c(=O)oc3c2)cc1
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| InChI |
InChI=1S/C21H20N4O4/c1-27-15-6-3-13(4-7-15)9-10-22-19-12-17(23-20(25-19)28-2)14-5-8-16-18(11-14)29-21(26)24-16/h3-8,11-12H,9-10H2,1-2H3,(H,24,26)(H,22,23,25)
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| InChIKey |
HCGPNAZEXVWUKL-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