General Information of the Compound
| Compound ID |
CP0407623
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| Compound Name |
CHEMBL1644480
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| Formula |
C13H16N2O3
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| Molecular Weight |
248.282
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| Canonical SMILES |
[O-][N+](=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
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| InChI |
InChI=1S/C13H16N2O3/c16-15(17)11-2-1-3-12(8-11)18-13-6-9-4-5-10(7-13)14-9/h1-3,8-10,13-14H,4-7H2/t9-,10+,13-
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| InChIKey |
WQUWMFJMVPTZHQ-DDFAGTSDSA-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