General Information of the Compound
| Compound ID |
CP0006239
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| Compound Name |
3-ethyl-5-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole
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| Structure |
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| Formula |
C20H26N2O
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| Molecular Weight |
310.441
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| Canonical SMILES |
CCc1cc(on1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C
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| InChI |
InChI=1S/C20H26N2O/c1-4-15-11-19(23-21-15)20-17(14-7-5-13(2)6-8-14)12-16-9-10-18(20)22(16)3/h5-8,11,16-18,20H,4,9-10,12H2,1-3H3/t16-,17+,18+,20-/m0/s1
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| InChIKey |
JZWBQZKHNDUSFQ-XFKSJGNHSA-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