General Information of the Compound
| Compound ID |
CP0575214
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| Compound Name |
1-[(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-6-(4-propan-2-yloxyphenoxy)-1,3,5-triazine-2,4-dione
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| Formula |
C21H22ClN3O5
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| Molecular Weight |
431.876
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| Canonical SMILES |
CC(C)Oc1ccc(Oc2nc(=O)n(CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C21H22ClN3O5/c1-14(2)29-17-7-9-18(10-8-17)30-20-23-19(27)24(11-12-26)21(28)25(20)13-15-3-5-16(22)6-4-15/h3-10,14,26H,11-13H2,1-2H3
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| InChIKey |
NAOFAQKIAWFMDS-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