General Information of the Compound
| Compound ID |
CP0081727
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| Compound Name |
2-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-fluorobenzamide
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| Structure |
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| Formula |
C16H23ClFN3O
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| Molecular Weight |
327.831
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| Canonical SMILES |
CCN1CCN(CCCNC(=O)c2ccc(F)cc2Cl)CC1
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| InChI |
InChI=1S/C16H23ClFN3O/c1-2-20-8-10-21(11-9-20)7-3-6-19-16(22)14-5-4-13(18)12-15(14)17/h4-5,12H,2-3,6-11H2,1H3,(H,19,22)
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| InChIKey |
ZNGGAXKXYRKQDN-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