General Information of the Compound
| Compound ID |
CP0405444
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| Compound Name |
(1R,2S,3R,5R)-methyl 3-(4-vinylphenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylate
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| Structure |
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| Formula |
C17H21NO2
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| Molecular Weight |
271.36
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| Canonical SMILES |
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C=C)cc1)N2
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| InChI |
InChI=1S/C17H21NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h3-7,13-16,18H,1,8-10H2,2H3/t13-,14+,15-,16+/m1/s1
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| InChIKey |
KHYFCJWXLVZFLY-QXSJWSMHSA-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
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter