General Information of the Compound
| Compound ID |
CP0079800
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| Compound Name |
2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one
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| Structure |
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| Formula |
C12H13Cl2N3O
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| Molecular Weight |
286.162
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| Canonical SMILES |
CN1C(N)=NC(C)(CC1=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C12H13Cl2N3O/c1-12(6-10(18)17(2)11(15)16-12)7-3-4-8(13)9(14)5-7/h3-5H,6H2,1-2H3,(H2,15,16)
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| InChIKey |
XICGXUBMFPRVMO-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