General Information of the Compound
| Compound ID |
CP0868251
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| Compound Name |
[C11]-2-[3-(5-Bromo-1H-indol-3-yl)-propyl]-6-methoxy-1,2,3,4-tetrahydro-isoquinoline
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| Structure |
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| Formula |
C21H23BrN2O
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| Molecular Weight |
398.3324336
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| Canonical SMILES |
[11CH3]Oc1ccc2c(c1)CCN(CCCc1c[nH]c3ccc(Br)cc13)C2
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| InChI |
InChI=1S/C21H23BrN2O/c1-25-19-6-4-17-14-24(10-8-15(17)11-19)9-2-3-16-13-23-21-7-5-18(22)12-20(16)21/h4-7,11-13,23H,2-3,8-10,14H2,1H3/i1-1
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| InChIKey |
RFZOKJQQTZLOBO-BJUDXGSMSA-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