General Information of the Compound
| Compound ID |
CP0942047
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| Compound Name |
(5-(benzo[d][1,3]dioxol-5-yl)isoxazol-3-yl)(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)methanone
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| Structure |
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| Formula |
C25H18N4O5
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| Molecular Weight |
454.442
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| Canonical SMILES |
O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1N=C(c2cccnc2)CC1c1ccccc1O
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| InChI |
InChI=1S/C25H18N4O5/c30-21-6-2-1-5-17(21)20-11-18(16-4-3-9-26-13-16)27-29(20)25(31)19-12-23(34-28-19)15-7-8-22-24(10-15)33-14-32-22/h1-10,12-13,20,30H,11,14H2
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| InChIKey |
GGZOCCRMEBZMPC-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