General Information of the Compound
| Compound ID |
CP0935747
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| Compound Name |
(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)(5-(4-methoxyphenyl)isoxazol-3-yl)methanone
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| Structure |
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| Formula |
C25H20N4O4
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| Molecular Weight |
440.459
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| Canonical SMILES |
COc1ccc(-c2cc(C(=O)N3N=C(c4cccnc4)CC3c3ccccc3O)no2)cc1
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| InChI |
InChI=1S/C25H20N4O4/c1-32-18-10-8-16(9-11-18)24-14-21(28-33-24)25(31)29-22(19-6-2-3-7-23(19)30)13-20(27-29)17-5-4-12-26-15-17/h2-12,14-15,22,30H,13H2,1H3
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| InChIKey |
RLZYEROKZLONOK-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