General Information of the Compound
| Compound ID |
CP0904821
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| Compound Name |
rac-(3-(5-(hydroxymethyl)pyridin-3-yl)-5-(2-hydroxyphenyl)-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 |
C25H20N4O3S
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| Molecular Weight |
456.527
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| Canonical SMILES |
O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cncc(CO)c2)CC1c1ccccc1O
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| InChI |
InChI=1S/C25H20N4O3S/c30-15-16-11-17(14-26-13-16)20-12-21(18-5-1-2-7-22(18)31)29(28-20)25(32)24-9-8-23(33-24)19-6-3-4-10-27-19/h1-11,13-14,21,30-31H,12,15H2
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| InChIKey |
WJVURUQSUUCLDV-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