General Information of the Compound
| Compound ID |
CP0000944
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| Compound Name |
(1S,5R)-3-methyl-7-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene
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| Structure |
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| Formula |
C14H18N2
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| Molecular Weight |
214.312
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| Canonical SMILES |
CN1C[C@H]2C[C@@H](C1)C=C(C2)c1cccnc1
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| InChI |
InChI=1S/C14H18N2/c1-16-9-11-5-12(10-16)7-14(6-11)13-3-2-4-15-8-13/h2-4,6,8,11-12H,5,7,9-10H2,1H3/t11-,12+/m1/s1
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| InChIKey |
PWXQAVZNBKKQOF-NEPJUHHUSA-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