General Information of the Compound
| Compound ID |
CP0111297
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| Compound Name |
2-[4-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-6-methyl-pyridine
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| Structure |
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| Formula |
C15H12ClN3
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| Molecular Weight |
269.735
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| Canonical SMILES |
Cc1cccc(n1)-c1n[nH]cc1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C15H12ClN3/c1-10-3-2-4-14(18-10)15-13(9-17-19-15)11-5-7-12(16)8-6-11/h2-9H,1H3,(H,17,19)
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| InChIKey |
HTVAFUKFRNIMHR-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