General Information of the Compound
| Compound ID |
CP0477746
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| Compound Name |
(1,4-diazepan-1-yl)(6-(4-fluorophenoxy)pyridin-3-yl)methanone
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| Structure |
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| Formula |
C17H18FN3O2
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| Molecular Weight |
315.348
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| Canonical SMILES |
Fc1ccc(Oc2ccc(cn2)C(=O)N2CCCNCC2)cc1
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| InChI |
InChI=1S/C17H18FN3O2/c18-14-3-5-15(6-4-14)23-16-7-2-13(12-20-16)17(22)21-10-1-8-19-9-11-21/h2-7,12,19H,1,8-11H2
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| InChIKey |
DJBQOVQBHHGGBX-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