General Information of the Compound
| Compound ID |
CP0393391
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| Compound Name |
3-[(1R,5R)-8-heptyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
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| Structure |
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| Formula |
C21H32N2O
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| Molecular Weight |
328.5
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| Canonical SMILES |
CCCCCCCN1[C@@H]2CC[C@@H]1CC(C2)c1cccc(c1)C(N)=O
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| InChI |
InChI=1S/C21H32N2O/c1-2-3-4-5-6-12-23-19-10-11-20(23)15-18(14-19)16-8-7-9-17(13-16)21(22)24/h7-9,13,18-20H,2-6,10-12,14-15H2,1H3,(H2,22,24)/t19-,20-/m1/s1
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| InChIKey |
WFRDJXWKISASKT-WOJBJXKFSA-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