General Information of the Compound
| Compound ID |
CP0431911
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| Compound Name |
N-[4-[2-[4-(2-aminoethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
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| Structure |
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| Formula |
C15H19N3OS
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| Molecular Weight |
289.404
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| Canonical SMILES |
CC(=O)Nc1nc(CCc2ccc(CCN)cc2)cs1
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| InChI |
InChI=1S/C15H19N3OS/c1-11(19)17-15-18-14(10-20-15)7-6-12-2-4-13(5-3-12)8-9-16/h2-5,10H,6-9,16H2,1H3,(H,17,18,19)
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| InChIKey |
MVESDSWTNCLUPC-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