General Information of the Compound
| Compound ID |
CP0305665
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| Compound Name |
N-[6-[2-(3-phenylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C22H20N4O2S
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| Molecular Weight |
404.495
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| Canonical SMILES |
CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(OCCCc2ccccc2)n1
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| InChI |
InChI=1S/C22H20N4O2S/c1-15(27)24-22-26-19-10-9-17(14-20(19)29-22)18-11-12-23-21(25-18)28-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,24,26,27)
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| InChIKey |
PYLJLCUVXBPXSK-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