General Information of the Compound
| Compound ID |
CP0438751
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| Compound Name |
5-(4-Chloro-phenyl)-9-fluoro-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol
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| Structure |
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| Formula |
C16H12ClFN2O
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| Molecular Weight |
302.736
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| Canonical SMILES |
OC1(N2CCN=C2c2c1cccc2F)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C16H12ClFN2O/c17-11-6-4-10(5-7-11)16(21)12-2-1-3-13(18)14(12)15-19-8-9-20(15)16/h1-7,21H,8-9H2
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| InChIKey |
AAADQEFQWNJHOZ-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
Protein ID: PT00871, Sodium-dependent serotonin transporter