General Information of the Compound
| Compound ID |
CP0470879
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| Compound Name |
1-(5-(2-(benzyloxy)phenyl)-3-(4-(methylsulfonyl)phenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
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| Structure |
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| Formula |
C25H24N2O4S
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| Molecular Weight |
448.544
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| Canonical SMILES |
CC(=O)N1N=C(CC1c1ccccc1OCc1ccccc1)c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C25H24N2O4S/c1-18(28)27-24(16-23(26-27)20-12-14-21(15-13-20)32(2,29)30)22-10-6-7-11-25(22)31-17-19-8-4-3-5-9-19/h3-15,24H,16-17H2,1-2H3
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| InChIKey |
PXDPKTWBVRXJGD-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