General Information of the Compound
| Compound ID |
CP0902378
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| Compound Name |
(1S,2R)-1-[5-(Benzyloxy)-2,3-dihydro-1H-indol-1-yl]-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol Hydrochloride
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| Structure |
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| Formula |
C25H28ClFN2O2
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| Molecular Weight |
442.962
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| Canonical SMILES |
CNC[C@@H](O)[C@H](c1cccc(F)c1)N1CCc2cc(OCc3ccccc3)ccc21.Cl
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| InChI |
InChI=1S/C25H27FN2O2.ClH/c1-27-16-24(29)25(20-8-5-9-21(26)14-20)28-13-12-19-15-22(10-11-23(19)28)30-17-18-6-3-2-4-7-18;/h2-11,14-15,24-25,27,29H,12-13,16-17H2,1H3;1H/t24-,25+;/m1./s1
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| InChIKey |
WWIVDDWMWBWRJK-KGQXAQPSSA-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