General Information of the Compound
| Compound ID |
CP0721037
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| Compound Name |
cyclopentyl 6-methyl-4-(4-(methylthio)phenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C18H22N2O3S
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| Molecular Weight |
346.452
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| Canonical SMILES |
CSc1ccc(C2NC(=O)NC(C)=C2C(=O)OC2CCCC2)cc1
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| InChI |
InChI=1S/C18H22N2O3S/c1-11-15(17(21)23-13-5-3-4-6-13)16(20-18(22)19-11)12-7-9-14(24-2)10-8-12/h7-10,13,16H,3-6H2,1-2H3,(H2,19,20,22)
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| InChIKey |
GZOFPTJXAYPEIT-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