General Information of the Compound
| Compound ID |
CP0441229
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| Compound Name |
3-(3-bromophenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one
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| Structure |
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| Formula |
C16H12BrN3O3
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| Molecular Weight |
374.194
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)C1=CCN(C(=O)N1)c1cccc(Br)c1
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| InChI |
InChI=1S/C16H12BrN3O3/c17-12-4-2-5-13(10-12)19-8-7-15(18-16(19)21)11-3-1-6-14(9-11)20(22)23/h1-7,9-10H,8H2,(H,18,21)
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| InChIKey |
OUUZIEDSZGRVAZ-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