General Information of the Compound
| Compound ID |
CP0394673
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| Compound Name |
CHEMBL1644471
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| Formula |
C13H17NO
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| Molecular Weight |
203.285
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| Canonical SMILES |
C1C[C@@H]2C[C@H](C[C@H]1N2)Oc1ccccc1
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| InChI |
InChI=1S/C13H17NO/c1-2-4-12(5-3-1)15-13-8-10-6-7-11(9-13)14-10/h1-5,10-11,13-14H,6-9H2/t10-,11+,13-
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| InChIKey |
HQWOOKZKFBMBCD-PTEHBNRSSA-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