General Information of the Compound
| Compound ID |
CP0242022
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| Compound Name |
(5-bromofuran-2-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 |
C19H14BrN3O3
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| Molecular Weight |
412.243
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| Canonical SMILES |
Oc1ccccc1C1CC(=NN1C(=O)c1ccc(Br)o1)c1cccnc1
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| InChI |
InChI=1S/C19H14BrN3O3/c20-18-8-7-17(26-18)19(25)23-15(13-5-1-2-6-16(13)24)10-14(22-23)12-4-3-9-21-11-12/h1-9,11,15,24H,10H2
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| InChIKey |
WNEROHGKDZHSKR-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