General Information of the Compound
| Compound ID |
CP0419056
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| Compound Name |
(S)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
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| Synonyms |
(S)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CHEMBL567932
SCHEMBL4634335
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| Structure |
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| Formula |
C19H24N2O
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| Molecular Weight |
296.414
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| Canonical SMILES |
CC(C)CN([C@H]1CCNC1)C(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C19H24N2O/c1-14(2)13-21(18-9-10-20-12-18)19(22)17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11,14,18,20H,9-10,12-13H2,1-2H3/t18-/m0/s1
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| InChIKey |
CEUJKSVEPJAVKD-SFHVURJKSA-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
Clinical Information about the Compound