General Information of the Compound
| Compound ID |
CP0671202
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| Compound Name |
cycloheptyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C19H23N3O5
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| Molecular Weight |
373.409
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| Canonical SMILES |
CC1=C(C(=O)OC2CCCCCC2)C(c2ccc([N+](=O)[O-])cc2)NC(=O)N1
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| InChI |
InChI=1S/C19H23N3O5/c1-12-16(18(23)27-15-6-4-2-3-5-7-15)17(21-19(24)20-12)13-8-10-14(11-9-13)22(25)26/h8-11,15,17H,2-7H2,1H3,(H2,20,21,24)
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| InChIKey |
KENDVUHOEGTYFB-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