General Information of the Compound
| Compound ID |
CP0446235
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| Compound Name |
2-methoxy-5-methylsulfonyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C19H21N5O4S
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| Molecular Weight |
415.475
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| Canonical SMILES |
COc1ccc(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)S(C)(=O)=O
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| InChI |
InChI=1S/C19H21N5O4S/c1-12(2)24-11-20-23-18(24)15-6-5-7-17(21-15)22-19(25)14-10-13(29(4,26)27)8-9-16(14)28-3/h5-12H,1-4H3,(H,21,22,25)
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| InChIKey |
QBCRVDFHLRIWBY-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