General Information of the Compound
| Compound ID |
CP0492873
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| Compound Name |
N-(4-{[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]oxy}-1,3-benzothiazol-2-yl)acetamide
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| Structure |
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| Formula |
C23H22N6O2S
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| Molecular Weight |
446.536
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| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCN(CC3)c3ccccc3)cccc2s1
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| InChI |
InChI=1S/C23H22N6O2S/c1-16(30)26-23-27-22-18(8-5-9-19(22)32-23)31-21-14-20(24-15-25-21)29-12-10-28(11-13-29)17-6-3-2-4-7-17/h2-9,14-15H,10-13H2,1H3,(H,26,27,30)
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| InChIKey |
QYUCXKIRDTVQCA-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