General Information of the Compound
| Compound ID |
CP0522729
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| Compound Name |
[5-(4-chlorophenyl)furan-2-yl]-(4-methylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C16H17ClN2O2
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| Molecular Weight |
304.777
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1ccc(o1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C16H17ClN2O2/c1-18-8-10-19(11-9-18)16(20)15-7-6-14(21-15)12-2-4-13(17)5-3-12/h2-7H,8-11H2,1H3
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| InChIKey |
FTDIEBSIUGZEPF-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