General Information of the Compound
| Compound ID |
CP0101110
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| Compound Name |
2-[4-(4-Methoxy-phenyl)-1-methyl-1H-pyrazol-3-yl]-6-methyl-pyridine
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| Structure |
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| Formula |
C17H17N3O
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| Molecular Weight |
279.343
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| Canonical SMILES |
COc1ccc(cc1)-c1cn(C)nc1-c1cccc(C)n1
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| InChI |
InChI=1S/C17H17N3O/c1-12-5-4-6-16(18-12)17-15(11-20(2)19-17)13-7-9-14(21-3)10-8-13/h4-11H,1-3H3
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| InChIKey |
KWEXRMBBNFWOIY-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