General Information of the Compound
| Compound ID |
CP0500429
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| Compound Name |
N-(4-{[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]oxy}-1,3-benzothiazol-2-yl)acetamide
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| Structure |
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| Formula |
C24H24N6O2S
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| Molecular Weight |
460.563
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| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCN(Cc4ccccc4)CC3)cccc2s1
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| InChI |
InChI=1S/C24H24N6O2S/c1-17(31)27-24-28-23-19(8-5-9-20(23)33-24)32-22-14-21(25-16-26-22)30-12-10-29(11-13-30)15-18-6-3-2-4-7-18/h2-9,14,16H,10-13,15H2,1H3,(H,27,28,31)
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| InChIKey |
FNDZZTHNIWOHSS-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