General Information of the Compound
| Compound ID |
CP0433596
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| Compound Name |
methyl 2-naphthalen-2-ylcyclohexene-1-carboxylate
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| Structure |
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| Formula |
C18H18O2
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| Molecular Weight |
266.34
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| Canonical SMILES |
COC(=O)C1=C(CCCC1)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C18H18O2/c1-20-18(19)17-9-5-4-8-16(17)15-11-10-13-6-2-3-7-14(13)12-15/h2-3,6-7,10-12H,4-5,8-9H2,1H3
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| InChIKey |
BLAXQDSTBRMZPC-UHFFFAOYSA-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