General Information of the Compound
| Compound ID |
CP0451670
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| Compound Name |
7-[(3-chlorophenyl)methyl]-2-(3-fluorophenyl)-2,7-diazaspiro[4.4]nonan-1-one
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| Structure |
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| Formula |
C20H20ClFN2O
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| Molecular Weight |
358.844
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| Canonical SMILES |
Fc1cccc(c1)N1CCC2(CCN(Cc3cccc(Cl)c3)C2)C1=O
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| InChI |
InChI=1S/C20H20ClFN2O/c21-16-4-1-3-15(11-16)13-23-9-7-20(14-23)8-10-24(19(20)25)18-6-2-5-17(22)12-18/h1-6,11-12H,7-10,13-14H2
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| InChIKey |
ZWROPRAKOSXHJW-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