General Information of the Compound
| Compound ID |
CP0003805
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| Compound Name |
(1R,2R,3S,4S)-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine
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| Structure |
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| Formula |
C12H16N2
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| Molecular Weight |
188.274
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| Canonical SMILES |
N[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1cccnc1
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| InChI |
InChI=1S/C12H16N2/c13-12-9-4-3-8(6-9)11(12)10-2-1-5-14-7-10/h1-2,5,7-9,11-12H,3-4,6,13H2/t8-,9+,11-,12+/m0/s1
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| InChIKey |
LOMLRBVYEJFUID-BSJXLVFVSA-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