General Information of the Compound
| Compound ID |
CP0485063
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| Compound Name |
(1S,3S)-3-(2-methylphenoxy)-2,3-dihydro-1H-inden-1-amine
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| Synonyms |
CHEMBL486043
Trans-3-(o-tolyloxy)-2,3-dihydro-1H-inden-1-amine
trans-3-(o-tolyloxy)-2,3-dihydro-1H-inden-1-amine
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| Structure |
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| Formula |
C16H17NO
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| Molecular Weight |
239.318
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| Canonical SMILES |
Cc1ccccc1O[C@H]1C[C@H](N)c2ccccc12
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| InChI |
InChI=1S/C16H17NO/c1-11-6-2-5-9-15(11)18-16-10-14(17)12-7-3-4-8-13(12)16/h2-9,14,16H,10,17H2,1H3/t14-,16-/m0/s1
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| InChIKey |
VQMGCAXPAOTPQE-HOCLYGCPSA-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
Clinical Information about the Compound