General Information of the Compound
| Compound ID |
CP0498683
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| Compound Name |
N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]ethanesulfonamide
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| Structure |
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| Formula |
C20H26N2O2S
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| Molecular Weight |
358.507
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| Canonical SMILES |
CCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCN(C)C1
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| InChI |
InChI=1S/C20H26N2O2S/c1-3-25(23,24)22(19-13-14-21(2)16-19)15-18-11-7-8-12-20(18)17-9-5-4-6-10-17/h4-12,19H,3,13-16H2,1-2H3/t19-/m0/s1
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| InChIKey |
FRXKHOISTFCGOP-IBGZPJMESA-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