General Information of the Compound
| Compound ID |
CP0113033
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| Compound Name |
N-(1,3-benzodioxol-5-yl)-4-[4-fluoro-3-(pyridin-2-ylmethylcarbamoyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C26H22FN5O5
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| Molecular Weight |
503.49
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| Canonical SMILES |
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccn1)C(=O)Nc1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H22FN5O5/c1-14-22(25(34)31-16-6-8-20-21(11-16)37-13-36-20)23(32-26(35)30-14)15-5-7-19(27)18(10-15)24(33)29-12-17-4-2-3-9-28-17/h2-11,23H,12-13H2,1H3,(H,29,33)(H,31,34)(H2,30,32,35)
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| InChIKey |
CBBCUNUDUOFOKM-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