General Information of the Compound
| Compound ID |
CP0853149
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| Compound Name |
(1S,2R)-1-(3-Fluorophenyl)-3-(methylamino)-1-[(3S)-3-methyl-2,3-dihydro-1H-indol-1-yl]propan-2-ol Hydrochloride
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| Structure |
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| Formula |
C19H24ClFN2O
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| Molecular Weight |
350.865
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| Canonical SMILES |
CNC[C@@H](O)[C@H](c1cccc(F)c1)N1C[C@@H](C)c2ccccc21.Cl
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| InChI |
InChI=1S/C19H23FN2O.ClH/c1-13-12-22(17-9-4-3-8-16(13)17)19(18(23)11-21-2)14-6-5-7-15(20)10-14;/h3-10,13,18-19,21,23H,11-12H2,1-2H3;1H/t13-,18-,19+;/m1./s1
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| InChIKey |
GNEJBSYNDIMJCO-BGUVMLPUSA-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