General Information of the Compound
| Compound ID |
CP0401831
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| Compound Name |
N-cyclopropyl-4-(3,4-dimethoxyphenyl)-2-methylsulfonylpyrimidine-5-carboxamide
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| Structure |
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| Formula |
C17H19N3O5S
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| Molecular Weight |
377.422
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| Canonical SMILES |
COc1ccc(cc1OC)-c1nc(ncc1C(=O)NC1CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C17H19N3O5S/c1-24-13-7-4-10(8-14(13)25-2)15-12(16(21)19-11-5-6-11)9-18-17(20-15)26(3,22)23/h4,7-9,11H,5-6H2,1-3H3,(H,19,21)
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| InChIKey |
RSRZPMPAAULVPM-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