General Information of the Compound
| Compound ID |
CP0486445
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| Compound Name |
(3-chloro-4-fluoro-1-benzothiophen-2-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
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| Structure |
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| Formula |
C18H16ClFN2O2S
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| Molecular Weight |
378.856
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| Canonical SMILES |
Fc1cccc2sc(C(=O)N3CCN(Cc4ccco4)CC3)c(Cl)c12
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| InChI |
InChI=1S/C18H16ClFN2O2S/c19-16-15-13(20)4-1-5-14(15)25-17(16)18(23)22-8-6-21(7-9-22)11-12-3-2-10-24-12/h1-5,10H,6-9,11H2
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| InChIKey |
GOONNZFYJYLZCP-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