General Information of the Compound
| Compound ID |
CP0540559
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| Compound Name |
1-[(4-chlorophenyl)methyl]-3-ethyl-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione
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| Formula |
C21H23ClN4O3
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| Molecular Weight |
414.893
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| Canonical SMILES |
CCn1c(=O)nc(Nc2ccc(OC(C)C)cc2)n(Cc2ccc(Cl)cc2)c1=O
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| InChI |
InChI=1S/C21H23ClN4O3/c1-4-25-20(27)24-19(23-17-9-11-18(12-10-17)29-14(2)3)26(21(25)28)13-15-5-7-16(22)8-6-15/h5-12,14H,4,13H2,1-3H3,(H,23,24,27)
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| InChIKey |
OCHZWSSISNVUCZ-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