General Information of the Compound
| Compound ID |
CP0488306
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| Compound Name |
4-(1-benzothiophen-5-yl)-7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
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| Structure |
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| Formula |
C18H16FNS
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| Molecular Weight |
297.398
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| Canonical SMILES |
CN1CC(c2ccc3sccc3c2)c2ccc(F)cc2C1
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| InChI |
InChI=1S/C18H16FNS/c1-20-10-14-9-15(19)3-4-16(14)17(11-20)12-2-5-18-13(8-12)6-7-21-18/h2-9,17H,10-11H2,1H3
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| InChIKey |
RQGSUGDPXICJIV-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