General Information of the Compound
| Compound ID |
CP0193010
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| Compound Name |
3-methyl-4-((3S,4S)-3-((methylamino)methyl)-3,4-dihydro-1H-isochromen-4-yloxy)phenol
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| Structure |
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| Formula |
C18H21NO3
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| Molecular Weight |
299.37
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| Canonical SMILES |
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccc(O)cc1C
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| InChI |
InChI=1S/C18H21NO3/c1-12-9-14(20)7-8-16(12)22-18-15-6-4-3-5-13(15)11-21-17(18)10-19-2/h3-9,17-20H,10-11H2,1-2H3/t17-,18-/m0/s1
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| InChIKey |
CGROONDICFFSDT-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