General Information of the Compound
| Compound ID |
CP0401828
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| Compound Name |
4-(3,4-dimethoxyphenyl)-2-methylsulfanyl-N-pyridin-4-ylpyrimidine-5-carboxamide
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| Structure |
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| Formula |
C19H18N4O3S
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| Molecular Weight |
382.445
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| Canonical SMILES |
COc1ccc(cc1OC)-c1nc(SC)ncc1C(=O)Nc1ccncc1
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| InChI |
InChI=1S/C19H18N4O3S/c1-25-15-5-4-12(10-16(15)26-2)17-14(11-21-19(23-17)27-3)18(24)22-13-6-8-20-9-7-13/h4-11H,1-3H3,(H,20,22,24)
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| InChIKey |
GRVHGUPSEOHXGF-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