General Information of the Compound
| Compound ID |
CP0011817
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| Compound Name |
5-[[2-(3-methoxy-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
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| Structure |
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| Formula |
C20H19N5O3
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| Molecular Weight |
377.404
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| Canonical SMILES |
COc1cc(C)cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)c1
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| InChI |
InChI=1S/C20H19N5O3/c1-11-6-14(8-15(7-11)27-3)23-19-21-10-12(2)18(25-19)22-13-4-5-17-16(9-13)24-20(26)28-17/h4-10H,1-3H3,(H,24,26)(H2,21,22,23,25)
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| InChIKey |
YIBSESZNXRQSJN-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