General Information of the Compound
| Compound ID |
CP0050766
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| Compound Name |
(S)-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine
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| Structure |
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| Formula |
C16H18N2
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| Molecular Weight |
238.334
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| Canonical SMILES |
CN1C[C@@H](c2ccccc2)c2cccc(N)c2C1
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| InChI |
InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3/t14-/m0/s1
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| InChIKey |
XXPANQJNYNUNES-AWEZNQCLSA-N
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| CAS |
89664-18-6
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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