General Information of the Compound
| Compound ID |
CP0481227
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| Compound Name |
1-(5-(4-((6-chloropyridin-3-yl)methoxy)phenyl)-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
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| Structure |
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| Formula |
C18H18ClN3O2
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| Molecular Weight |
343.814
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| Canonical SMILES |
CC(=O)N1N=C(C)CC1c1ccc(OCc2ccc(Cl)nc2)cc1
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| InChI |
InChI=1S/C18H18ClN3O2/c1-12-9-17(22(21-12)13(2)23)15-4-6-16(7-5-15)24-11-14-3-8-18(19)20-10-14/h3-8,10,17H,9,11H2,1-2H3
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| InChIKey |
OOYPHDUQJOEDDJ-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