General Information of the Compound
| Compound ID |
CP0435895
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| Compound Name |
N-(4-{[6-(4-tert-butylpiperazin-1-yl)pyrimidin-4-yl]oxy}-1,3-benzothiazol-2-yl)acetamide
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| Structure |
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| Formula |
C21H26N6O2S
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| Molecular Weight |
426.546
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| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCN(CC3)C(C)(C)C)cccc2s1
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| InChI |
InChI=1S/C21H26N6O2S/c1-14(28)24-20-25-19-15(6-5-7-16(19)30-20)29-18-12-17(22-13-23-18)26-8-10-27(11-9-26)21(2,3)4/h5-7,12-13H,8-11H2,1-4H3,(H,24,25,28)
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| InChIKey |
RIQNVENJFCZQHX-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