General Information of the Compound
| Compound ID |
CP0439374
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| Compound Name |
(4S,6S)-3-Butyl-4-p-tolyl-1-aza-tricyclo[4.4.0.0*2,8*]decane
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| Structure |
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| Formula |
C19H27N
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| Molecular Weight |
269.432
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| Canonical SMILES |
CCCC1C2C3CCN2[C@H](C3)C[C@@H]1c1ccc(C)cc1
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| InChI |
InChI=1S/C19H27N/c1-3-4-17-18(14-7-5-13(2)6-8-14)12-16-11-15-9-10-20(16)19(15)17/h5-8,15-19H,3-4,9-12H2,1-2H3/t15?,16-,17?,18-,19?/m1/s1
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| InChIKey |
GZWGAKOZADNOEU-NPHMYQBISA-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