General Information of the Compound
| Compound ID |
CP0569163
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| Compound Name |
3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
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| Structure |
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| Formula |
C22H25FN4OS
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| Molecular Weight |
412.534
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| Canonical SMILES |
Cc1cccc2sc(NC(=O)CCN3CCN(Cc4ccccc4F)CC3)nc12
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| InChI |
InChI=1S/C22H25FN4OS/c1-16-5-4-8-19-21(16)25-22(29-19)24-20(28)9-10-26-11-13-27(14-12-26)15-17-6-2-3-7-18(17)23/h2-8H,9-15H2,1H3,(H,24,25,28)
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| InChIKey |
BQFAYRBTODBBSH-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