General Information of the Compound
| Compound ID |
CP0431033
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| Compound Name |
4-[(1S,5S)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile
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| Structure |
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| Formula |
C18H18N2
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| Molecular Weight |
262.356
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| Canonical SMILES |
N#Cc1ccc(N2[C@@H]3CC[C@@H]2CCC3)c2ccccc12
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| InChI |
InChI=1S/C18H18N2/c19-12-13-8-11-18(17-7-2-1-6-16(13)17)20-14-4-3-5-15(20)10-9-14/h1-2,6-8,11,14-15H,3-5,9-10H2/t14-,15-/m0/s1
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| InChIKey |
XPRKBAZJWZDANH-GJZGRUSLSA-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