General Information of the Compound
| Compound ID |
CP0003541
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| Compound Name |
4-(3-Methyl-2,5-dioxo-2,5-dihydro-pyrrol-1-ylamino)-2-thiophen-2-yl-pyrimidine-5-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C16H14N4O4S
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| Molecular Weight |
358.379
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| Canonical SMILES |
CCOC(=O)c1cnc(nc1NN1C(=O)C=C(C)C1=O)-c1cccs1
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| InChI |
InChI=1S/C16H14N4O4S/c1-3-24-16(23)10-8-17-14(11-5-4-6-25-11)18-13(10)19-20-12(21)7-9(2)15(20)22/h4-8H,3H2,1-2H3,(H,17,18,19)
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| InChIKey |
KBCXTBOXZPZBNM-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