General Information of the Compound
| Compound ID |
CP0443267
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| Compound Name |
(1S,2R)-1-(1H-indol-1-yl)-3-(methylamino)-1-(3-(trifluoromethyl)phenyl)propan-2-ol
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| Structure |
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| Formula |
C19H19F3N2O
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| Molecular Weight |
348.368
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| Canonical SMILES |
CNC[C@@H](O)[C@H](c1cccc(c1)C(F)(F)F)n1ccc2ccccc12
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| InChI |
InChI=1S/C19H19F3N2O/c1-23-12-17(25)18(14-6-4-7-15(11-14)19(20,21)22)24-10-9-13-5-2-3-8-16(13)24/h2-11,17-18,23,25H,12H2,1H3/t17-,18+/m1/s1
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| InChIKey |
CNZYWYSSMUKCGY-MSOLQXFVSA-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