General Information of the Compound
| Compound ID |
CP0917534
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| Compound Name |
rac-(5-(4-fluoro-2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)(5-(pyridin-2-yl)thiophen-2-yl)methanone
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| Structure |
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| Formula |
C24H17FN4O2S
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| Molecular Weight |
444.491
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| Canonical SMILES |
O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)CC1c1ccc(F)cc1O
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| InChI |
InChI=1S/C24H17FN4O2S/c25-16-6-7-17(21(30)12-16)20-13-19(15-4-3-10-26-14-15)28-29(20)24(31)23-9-8-22(32-23)18-5-1-2-11-27-18/h1-12,14,20,30H,13H2
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| InChIKey |
QGYYUJZCAWNHRQ-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