General Information of the Compound
| Compound ID |
CP0847667
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| Compound Name |
rac-(5-(2-fluoro-6-hydroxyphenyl)-3-(5-(hydroxymethyl)pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)(5-(isoindolin-5-yl)thiophen-2-yl)methanone
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| Structure |
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| Formula |
C28H23FN4O3S
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| Molecular Weight |
514.582
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| Canonical SMILES |
O=C(c1ccc(-c2ccc3c(c2)CNC3)s1)N1N=C(c2cncc(CO)c2)CC1c1c(O)cccc1F
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| InChI |
InChI=1S/C28H23FN4O3S/c29-21-2-1-3-24(35)27(21)23-10-22(20-8-16(15-34)11-30-14-20)32-33(23)28(36)26-7-6-25(37-26)17-4-5-18-12-31-13-19(18)9-17/h1-9,11,14,23,31,34-35H,10,12-13,15H2
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| InChIKey |
APZZHIYPJAKFLI-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