General Information of the Compound
| Compound ID |
CP0517918
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| Compound Name |
1-(4-methoxyphenyl)-3-[2-methyl-4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea
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| Structure |
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| Formula |
C20H21N5O3
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| Molecular Weight |
379.42
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| Canonical SMILES |
CNc1cc(Oc2ccc(NC(=O)Nc3ccc(OC)cc3)c(C)c2)ncn1
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| InChI |
InChI=1S/C20H21N5O3/c1-13-10-16(28-19-11-18(21-2)22-12-23-19)8-9-17(13)25-20(26)24-14-4-6-15(27-3)7-5-14/h4-12H,1-3H3,(H,21,22,23)(H2,24,25,26)
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| InChIKey |
HCUFYQJNOZITEY-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