General Information of the Compound
| Compound ID |
CP0431022
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| Compound Name |
(1S,2R)-1-(3-fluorophenyl)-1-(7-methyl-1H-indol-1-yl)-3-(methylamino)propan-2-ol
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| Structure |
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| Formula |
C19H21FN2O
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| Molecular Weight |
312.388
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| Canonical SMILES |
CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cccc(C)c12
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| InChI |
InChI=1S/C19H21FN2O/c1-13-5-3-6-14-9-10-22(18(13)14)19(17(23)12-21-2)15-7-4-8-16(20)11-15/h3-11,17,19,21,23H,12H2,1-2H3/t17-,19+/m1/s1
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| InChIKey |
OCYLDAPFNOMBGQ-MJGOQNOKSA-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