General Information of the Compound
| Compound ID |
CP0037882
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| Compound Name |
N-[6-[2-(2-phenylethyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C21H18N4OS
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| Molecular Weight |
374.469
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| Canonical SMILES |
CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(CCc2ccccc2)n1
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| InChI |
InChI=1S/C21H18N4OS/c1-14(26)23-21-25-18-9-8-16(13-19(18)27-21)17-11-12-22-20(24-17)10-7-15-5-3-2-4-6-15/h2-6,8-9,11-13H,7,10H2,1H3,(H,23,25,26)
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| InChIKey |
PAMUIBCERWXYGX-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