General Information of the Compound
| Compound ID |
CP0573676
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| Compound Name |
(3S,5S)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-fluoro-1,7-diazaspiro[4.4]nonan-6-one
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| Structure |
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| Formula |
C20H26ClFN2O
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| Molecular Weight |
364.892
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| Canonical SMILES |
F[C@@H]1CN(Cc2ccc(Cl)cc2)[C@@]2(CCN(C3CCCCC3)C2=O)C1
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| InChI |
InChI=1S/C20H26ClFN2O/c21-16-8-6-15(7-9-16)13-23-14-17(22)12-20(23)10-11-24(19(20)25)18-4-2-1-3-5-18/h6-9,17-18H,1-5,10-14H2/t17-,20-/m0/s1
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| InChIKey |
OQVNVBLFPXQFEG-PXNSSMCTSA-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