General Information of the Compound
| Compound ID |
CP0879772
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| Compound Name |
4-(3-endo-Hydroxy-3-exo-n-propyl-8-azabicyclo[3.2.1.]oct-8-yl)naphthalene-1-carbonitrile
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| Formula |
C21H24N2O
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| Molecular Weight |
320.436
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| Canonical SMILES |
CCC[C@]1(O)C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)c2ccccc12
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| InChI |
InChI=1S/C21H24N2O/c1-2-11-21(24)12-16-8-9-17(13-21)23(16)20-10-7-15(14-22)18-5-3-4-6-19(18)20/h3-7,10,16-17,24H,2,8-9,11-13H2,1H3/t16-,17+,21+
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| InChIKey |
JIUSIBKOPCNAIN-LFUKPOHLSA-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