General Information of the Compound
| Compound ID |
CP0485064
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| Compound Name |
(1R,3S)-N,N-dimethyl-3-(2-methylphenoxy)-2,3-dihydro-1H-inden-1-amine
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| Structure |
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| Formula |
C18H21NO
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| Molecular Weight |
267.372
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| Canonical SMILES |
CN(C)[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12
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| InChI |
InChI=1S/C18H21NO/c1-13-8-4-7-11-17(13)20-18-12-16(19(2)3)14-9-5-6-10-15(14)18/h4-11,16,18H,12H2,1-3H3/t16-,18+/m1/s1
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| InChIKey |
NBLMTDPDGYITGF-AEFFLSMTSA-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