General Information of the Compound
| Compound ID |
CP0444662
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| Compound Name |
(1R,3S)-3-(4-chlorophenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
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| Structure |
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| Formula |
C17H18ClNO
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| Molecular Weight |
287.79
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| Canonical SMILES |
CN(C)[C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc12
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| InChI |
InChI=1S/C17H18ClNO/c1-19(2)16-11-17(15-6-4-3-5-14(15)16)20-13-9-7-12(18)8-10-13/h3-10,16-17H,11H2,1-2H3/t16-,17+/m1/s1
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| InChIKey |
NNOXYEGAVKKWOL-SJORKVTESA-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