General Information of the Compound
| Compound ID |
CP0440772
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| Compound Name |
(S)-6-((pyrrolidin-3-yloxy)methyl)-2-naphthonitrile
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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(CO[C@H]3CCNC3)ccc2c1
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| InChI |
InChI=1S/C16H16N2O/c17-9-12-1-3-15-8-13(2-4-14(15)7-12)11-19-16-5-6-18-10-16/h1-4,7-8,16,18H,5-6,10-11H2/t16-/m0/s1
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| InChIKey |
KZMOSMDAUNHNBH-INIZCTEOSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter