General Information of the Compound
| Compound ID |
CP0530162
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| Compound Name |
(5-chloro-7-fluoro-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone
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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 |
CNC1CN(C1)C(=O)c1cc2cc(Cl)cc(F)c2[nH]1
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| InChI |
InChI=1S/C13H13ClFN3O/c1-16-9-5-18(6-9)13(19)11-3-7-2-8(14)4-10(15)12(7)17-11/h2-4,9,16-17H,5-6H2,1H3
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| InChIKey |
ZSKPBGNERYGHMM-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