General Information of the Compound
| Compound ID |
CP0440600
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| Compound Name |
((3R,4S)-4-(2-chlorophenoxy)isochroman-3-yl)-N-methylmethanamine
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| Structure |
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| Formula |
C17H18ClNO2
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| Molecular Weight |
303.789
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| Canonical SMILES |
CNC[C@H]1OCc2ccccc2[C@@H]1Oc1ccccc1Cl
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| InChI |
InChI=1S/C17H18ClNO2/c1-19-10-16-17(21-15-9-5-4-8-14(15)18)13-7-3-2-6-12(13)11-20-16/h2-9,16-17,19H,10-11H2,1H3/t16-,17+/m1/s1
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| InChIKey |
WINONEAFBRSOAL-SJORKVTESA-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