General Information of the Compound
| Compound ID |
CP0430080
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| Compound Name |
ethyl 2-(cyanoamino)-6-methyl-4-thiophen-3-yl-1,4-dihydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C13H14N4O2S
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| Molecular Weight |
290.348
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| Canonical SMILES |
CCOC(=O)C1=C(C)N\C(NC1c1ccsc1)=N/C#N
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| InChI |
InChI=1S/C13H14N4O2S/c1-3-19-12(18)10-8(2)16-13(15-7-14)17-11(10)9-4-5-20-6-9/h4-6,11H,3H2,1-2H3,(H2,15,16,17)
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| InChIKey |
ZFVWFKSIJGTHTL-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