General Information of the Compound
| Compound ID |
CP0015202
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| Compound Name |
5-[[2-(3,4-dimethoxy-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
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| Structure |
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| Formula |
C21H21N5O4
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| Molecular Weight |
407.43
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| Canonical SMILES |
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1OC
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| InChI |
InChI=1S/C21H21N5O4/c1-11-7-14(9-17(28-3)18(11)29-4)24-20-22-10-12(2)19(26-20)23-13-5-6-16-15(8-13)25-21(27)30-16/h5-10H,1-4H3,(H,25,27)(H2,22,23,24,26)
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| InChIKey |
TUBVOAQAKUPGHR-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