General Information of the Compound
| Compound ID |
CP0409226
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| Compound Name |
2-[3-(1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-bromophenyl)-1,3-thiazole
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| Structure |
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| Formula |
C25H17BrClN3O2S
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| Molecular Weight |
538.854
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| Canonical SMILES |
Clc1ccc(cc1)C1=NN(C(C1)c1ccc2OCOc2c1)c1nc(cs1)-c1ccc(Br)cc1
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| InChI |
InChI=1S/C25H17BrClN3O2S/c26-18-6-1-16(2-7-18)21-13-33-25(28-21)30-22(17-5-10-23-24(11-17)32-14-31-23)12-20(29-30)15-3-8-19(27)9-4-15/h1-11,13,22H,12,14H2
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| InChIKey |
MKPKWKJVSARVQR-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