General Information of the Compound
| Compound ID |
CP0215426
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| Compound Name |
(S)-N-(2-methyl-3-(trifluoromethyl)benzyl)-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine
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| Structure |
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| Formula |
C18H25F3N2O
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| Molecular Weight |
342.405
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| Canonical SMILES |
Cc1c(CN([C@H]2CCNC2)C2CCOCC2)cccc1C(F)(F)F
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| InChI |
InChI=1S/C18H25F3N2O/c1-13-14(3-2-4-17(13)18(19,20)21)12-23(16-5-8-22-11-16)15-6-9-24-10-7-15/h2-4,15-16,22H,5-12H2,1H3/t16-/m0/s1
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| InChIKey |
OVZCYWBNBLGMMB-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