General Information of the Compound
| Compound ID |
CP0489918
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| Compound Name |
3-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]benzonitrile
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| Structure |
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| Formula |
C18H18N2O
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| Molecular Weight |
278.355
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| Canonical SMILES |
N#Cc1cccc(O[C@@H]([C@@H]2CCNC2)c2ccccc2)c1
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| InChI |
InChI=1S/C18H18N2O/c19-12-14-5-4-8-17(11-14)21-18(16-9-10-20-13-16)15-6-2-1-3-7-15/h1-8,11,16,18,20H,9-10,13H2/t16-,18-/m1/s1
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| InChIKey |
YVEIFDFSCWTJRT-SJLPKXTDSA-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter