General Information of the Compound
| Compound ID |
CP0467972
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| Compound Name |
methyl (1R,2S)-2-(4-phenylphenyl)cycloheptane-1-carboxylate
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| Structure |
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| Formula |
C21H24O2
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| Molecular Weight |
308.421
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| Canonical SMILES |
COC(=O)[C@@H]1CCCCC[C@@H]1c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C21H24O2/c1-23-21(22)20-11-7-3-6-10-19(20)18-14-12-17(13-15-18)16-8-4-2-5-9-16/h2,4-5,8-9,12-15,19-20H,3,6-7,10-11H2,1H3/t19-,20-/m1/s1
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| InChIKey |
OJEXZTOASHOTIX-WOJBJXKFSA-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter