General Information of the Compound
| Compound ID |
CP0528860
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| Compound Name |
3-[3-[benzyl(methyl)amino]propyl]-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C18H20N2OS
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| Molecular Weight |
312.438
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| Canonical SMILES |
CN(CCCn1c2ccccc2sc1=O)Cc1ccccc1
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| InChI |
InChI=1S/C18H20N2OS/c1-19(14-15-8-3-2-4-9-15)12-7-13-20-16-10-5-6-11-17(16)22-18(20)21/h2-6,8-11H,7,12-14H2,1H3
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| InChIKey |
FDBBWZMJTYIRSH-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