General Information of the Compound
| Compound ID |
CP0475123
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| Compound Name |
(1R,5R,9S)-5-(3-hydroxyphenyl)-2-prop-2-enyl-2-azabicyclo[3.3.1]nonan-9-ol;hydrochloride
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| Structure |
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| Formula |
C17H24ClNO2
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| Molecular Weight |
309.837
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| Canonical SMILES |
Cl.O[C@@H]1[C@H]2CCC[C@@]1(CCN2CC=C)c1cccc(O)c1
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| InChI |
InChI=1S/C17H23NO2.ClH/c1-2-10-18-11-9-17(8-4-7-15(18)16(17)20)13-5-3-6-14(19)12-13;/h2-3,5-6,12,15-16,19-20H,1,4,7-11H2;1H/t15-,16-,17-;/m1./s1
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| InChIKey |
WICUTBLRDZPUFO-UATJXVQHSA-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