General Information of the Compound
| Compound ID |
CP0458402
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| Compound Name |
3-methyl-5-[(2-methyl-5-phenylpyrazol-3-yl)methyl]pyridine
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| Structure |
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| Formula |
C17H17N3
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| Molecular Weight |
263.344
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| Canonical SMILES |
Cc1cncc(Cc2cc(nn2C)-c2ccccc2)c1
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| InChI |
InChI=1S/C17H17N3/c1-13-8-14(12-18-11-13)9-16-10-17(19-20(16)2)15-6-4-3-5-7-15/h3-8,10-12H,9H2,1-2H3
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| InChIKey |
YPBYCKXWCQKUNX-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial