General Information of the Compound
Compound ID |
CP0384763
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Compound Name |
(R)-6-(pyrrolidin-3-ylmethoxy)-2-naphthonitrile
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Synonyms |
(R)-6-(pyrrolidin-3-ylmethoxy)-2-naphthonitrile
CHEMBL506397
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Structure |
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Formula |
C16H16N2O
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Molecular Weight |
252.317
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Canonical SMILES |
N#Cc1ccc2cc(OC[C@@H]3CCNC3)ccc2c1
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InChI |
InChI=1S/C16H16N2O/c17-9-12-1-2-15-8-16(4-3-14(15)7-12)19-11-13-5-6-18-10-13/h1-4,7-8,13,18H,5-6,10-11H2/t13-/m1/s1
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InChIKey |
PYEILVKGQDUINV-CYBMUJFWSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter
Clinical Information about the Compound