General Information of the Compound
| Compound ID |
CP0422645
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| Compound Name |
N,N-dimethyl-1-[(1R,2S)-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine
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| Structure |
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| Formula |
C19H23NO
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| Molecular Weight |
281.399
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| Canonical SMILES |
CN(C)C[C@@H]1Cc2ccccc2[C@@H]1Oc1ccccc1C
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| InChI |
InChI=1S/C19H23NO/c1-14-8-4-7-11-18(14)21-19-16(13-20(2)3)12-15-9-5-6-10-17(15)19/h4-11,16,19H,12-13H2,1-3H3/t16-,19+/m0/s1
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| InChIKey |
XHOQDMBOUAKHDY-QFBILLFUSA-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