General Information of the Compound
| Compound ID |
CP0479512
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| Compound Name |
4-(2,5-dichlorophenoxy)-N-ethyl-N-(2-methylphenyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C20H17Cl2N3O2
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| Molecular Weight |
402.281
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| Canonical SMILES |
CCN(C(=O)c1cncnc1Oc1cc(Cl)ccc1Cl)c1ccccc1C
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| InChI |
InChI=1S/C20H17Cl2N3O2/c1-3-25(17-7-5-4-6-13(17)2)20(26)15-11-23-12-24-19(15)27-18-10-14(21)8-9-16(18)22/h4-12H,3H2,1-2H3
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| InChIKey |
RIIYXKLMJIARET-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