General Information of the Compound
| Compound ID |
CP0407691
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| Compound Name |
CHEMBL1644475
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| Formula |
C13H16ClNO
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| Molecular Weight |
237.73
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| Canonical SMILES |
Clc1ccccc1O[C@H]1C[C@@H]2CC[C@H](C1)N2
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| InChI |
InChI=1S/C13H16ClNO/c14-12-3-1-2-4-13(12)16-11-7-9-5-6-10(8-11)15-9/h1-4,9-11,15H,5-8H2/t9-,10+,11-
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| InChIKey |
MJWXDPDEDHUUJV-JGPRNRPPSA-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