General Information of the Compound
| Compound ID |
CP0526997
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| Compound Name |
N-methyl-1-[(1R,2S)-1-naphthalen-1-yloxy-2,3-dihydro-1H-inden-2-yl]methanamine
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| Structure |
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| Formula |
C21H21NO
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| Molecular Weight |
303.405
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| Canonical SMILES |
CNC[C@@H]1Cc2ccccc2[C@@H]1Oc1cccc2ccccc12
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| InChI |
InChI=1S/C21H21NO/c1-22-14-17-13-16-8-3-5-11-19(16)21(17)23-20-12-6-9-15-7-2-4-10-18(15)20/h2-12,17,21-22H,13-14H2,1H3/t17-,21+/m0/s1
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| InChIKey |
VPTOWUWJWIVXIJ-LAUBAEHRSA-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