General Information of the Compound
| Compound ID |
CP0262531
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| Compound Name |
((3S,4S)-4-(3-fluoro-2-methylphenoxy)-3,4-dihydro-1H-isochromen-3-yl)-N-methylmethanamine
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| Structure |
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| Formula |
C18H20FNO2
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| Molecular Weight |
301.361
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| Canonical SMILES |
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1cccc(F)c1C
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| InChI |
InChI=1S/C18H20FNO2/c1-12-15(19)8-5-9-16(12)22-18-14-7-4-3-6-13(14)11-21-17(18)10-20-2/h3-9,17-18,20H,10-11H2,1-2H3/t17-,18-/m0/s1
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| InChIKey |
SQKSQRKXCFBFLF-ROUUACIJSA-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