General Information of the Compound
| Compound ID |
CP0537110
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| Compound Name |
(5-chloro-7-fluoro-1H-indol-2-yl)-piperazin-1-ylmethanone
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| Structure |
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| Formula |
C13H13ClFN3O
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| Molecular Weight |
281.718
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| Canonical SMILES |
Fc1cc(Cl)cc2cc([nH]c12)C(=O)N1CCNCC1
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| InChI |
InChI=1S/C13H13ClFN3O/c14-9-5-8-6-11(17-12(8)10(15)7-9)13(19)18-3-1-16-2-4-18/h5-7,16-17H,1-4H2
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| InChIKey |
XIPMCEQSWIQQQT-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