General Information of the Compound
| Compound ID |
CP0945563
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| Compound Name |
N-(1-(2-(benzyloxy)-5-chlorobenzyl)-1H-pyrazol-3-yl)benzamide
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| Structure |
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| Formula |
C24H20ClN3O2
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| Molecular Weight |
417.896
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| Canonical SMILES |
O=C(Nc1ccn(Cc2cc(Cl)ccc2OCc2ccccc2)n1)c1ccccc1
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| InChI |
InChI=1S/C24H20ClN3O2/c25-21-11-12-22(30-17-18-7-3-1-4-8-18)20(15-21)16-28-14-13-23(27-28)26-24(29)19-9-5-2-6-10-19/h1-15H,16-17H2,(H,26,27,29)
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| InChIKey |
ITXHOYFSTIDIOB-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