General Information of the Compound
| Compound ID |
CP0942313
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| Compound Name |
cyclopentyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C15H17N3O5S
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| Molecular Weight |
351.384
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| Canonical SMILES |
CC1=C(C(=O)OC2CCCC2)C(c2ccc([N+](=O)[O-])s2)NC(=O)N1
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| InChI |
InChI=1S/C15H17N3O5S/c1-8-12(14(19)23-9-4-2-3-5-9)13(17-15(20)16-8)10-6-7-11(24-10)18(21)22/h6-7,9,13H,2-5H2,1H3,(H2,16,17,20)
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| InChIKey |
BGMVPVGSTKMLMK-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