General Information of the Compound
| Compound ID |
CP0433488
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| Compound Name |
4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
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| Structure |
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| Formula |
C26H19Br2N3O2S
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| Molecular Weight |
597.332
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| Canonical SMILES |
Brc1ccc(cc1)C1=NN(C(C1)c1ccc2OCCOc2c1)c1nc(cs1)-c1ccc(Br)cc1
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| InChI |
InChI=1S/C26H19Br2N3O2S/c27-19-6-1-16(2-7-19)21-14-23(18-5-10-24-25(13-18)33-12-11-32-24)31(30-21)26-29-22(15-34-26)17-3-8-20(28)9-4-17/h1-10,13,15,23H,11-12,14H2
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| InChIKey |
XGLHIWOCCSHJJN-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