General Information of the Compound
| Compound ID |
CP0000479
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| Compound Name |
(1S,5R)-7-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene
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| Structure |
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| Formula |
C13H16N2
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| Molecular Weight |
200.285
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| Canonical SMILES |
C1NC[C@@H]2C[C@H]1CC(=C2)c1cccnc1
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| InChI |
InChI=1S/C13H16N2/c1-2-12(9-14-3-1)13-5-10-4-11(6-13)8-15-7-10/h1-3,5,9-11,15H,4,6-8H2/t10-,11+/m1/s1
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| InChIKey |
RCSZDVCUNQPLHO-MNOVXSKESA-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