General Information of the Compound
| Compound ID |
CP0394159
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| Compound Name |
1,1,1-trifluoro-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide
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| Structure |
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| Formula |
C18H19F3N2O2S
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| Molecular Weight |
384.423
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| Canonical SMILES |
FC(F)(F)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
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| InChI |
InChI=1S/C18H19F3N2O2S/c19-18(20,21)26(24,25)23(16-10-11-22-12-16)13-15-8-4-5-9-17(15)14-6-2-1-3-7-14/h1-9,16,22H,10-13H2/t16-/m0/s1
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| InChIKey |
VXAFVYYBYDYSHN-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter