General Information of the Compound
| Compound ID |
CP0919071
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| Compound Name |
4-(3-endo-Hydroxy-3-exo-ethyl 8-azabicyclo[3.2.1]oct-8-yl)naphthalene-1-carbonitrile
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| Formula |
C20H22N2O
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| Molecular Weight |
306.409
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| Canonical SMILES |
CC[C@]1(O)C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)c2ccccc12
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| InChI |
InChI=1S/C20H22N2O/c1-2-20(23)11-15-8-9-16(12-20)22(15)19-10-7-14(13-21)17-5-3-4-6-18(17)19/h3-7,10,15-16,23H,2,8-9,11-12H2,1H3/t15-,16+,20+
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| InChIKey |
MUZMLJBHFNWKSQ-IGOJGBNBSA-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