General Information of the Compound
| Compound ID |
CP0376085
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| Compound Name |
1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-methyl-3-{2-[(pyridin-2-ylmethyl)-amino]-ethyl}-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C27H26F2N4O3
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| Molecular Weight |
492.526
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| Canonical SMILES |
COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCNCc2ccccn2)c1=O
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| InChI |
InChI=1S/C27H26F2N4O3/c1-18-25(19-7-5-9-21(15-19)36-2)26(34)32(14-13-30-16-20-8-3-4-12-31-20)27(35)33(18)17-22-23(28)10-6-11-24(22)29/h3-12,15,30H,13-14,16-17H2,1-2H3
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| InChIKey |
VOLXEUOMDAYBKB-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