General Information of the Compound
| Compound ID |
CP0437378
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| Compound Name |
N-(4-{[6-(piperazin-1-yl)pyrimidin-4-yl]oxy}-1,3-benzothiazol-2-yl)acetamide
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| Structure |
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| Formula |
C17H18N6O2S
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| Molecular Weight |
370.438
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| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCNCC3)cccc2s1
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| InChI |
InChI=1S/C17H18N6O2S/c1-11(24)21-17-22-16-12(3-2-4-13(16)26-17)25-15-9-14(19-10-20-15)23-7-5-18-6-8-23/h2-4,9-10,18H,5-8H2,1H3,(H,21,22,24)
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| InChIKey |
FYZDHIIYNMCEHU-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