General Information of the Compound
| Compound ID |
CP0446666
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| Compound Name |
propan-2-yl 2-(cyanoamino)-4-(furan-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C14H16N4O3
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| Molecular Weight |
288.307
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| Canonical SMILES |
CC(C)OC(=O)C1=C(C)N\C(NC1c1ccco1)=N/C#N
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| InChI |
InChI=1S/C14H16N4O3/c1-8(2)21-13(19)11-9(3)17-14(16-7-15)18-12(11)10-5-4-6-20-10/h4-6,8,12H,1-3H3,(H2,16,17,18)
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| InChIKey |
PJRWJIDNCUDYRW-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