General Information of the Compound
| Compound ID |
CP0500428
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| Compound Name |
N-[4-({6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl}oxy)-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C25H26N6O2S
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| Molecular Weight |
474.59
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| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCN(CCc4ccccc4)CC3)cccc2s1
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| InChI |
InChI=1S/C25H26N6O2S/c1-18(32)28-25-29-24-20(8-5-9-21(24)34-25)33-23-16-22(26-17-27-23)31-14-12-30(13-15-31)11-10-19-6-3-2-4-7-19/h2-9,16-17H,10-15H2,1H3,(H,28,29,32)
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| InChIKey |
FDUJRNBVBNVJON-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