General Information of the Compound
| Compound ID |
CP0899678
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| Compound Name |
(1S,2R)-1-(3-Fluorophenyl)-1-(3-isopropyl-2,3-dihydro-1Hindol-1-yl)-3-(methylamino)propan-2-ol Hydrochloride
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| Structure |
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| Formula |
C21H28ClFN2O
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| Molecular Weight |
378.919
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| Canonical SMILES |
CNC[C@@H](O)[C@H](c1cccc(F)c1)N1CC(C(C)C)c2ccccc21.Cl
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| InChI |
InChI=1S/C21H27FN2O.ClH/c1-14(2)18-13-24(19-10-5-4-9-17(18)19)21(20(25)12-23-3)15-7-6-8-16(22)11-15;/h4-11,14,18,20-21,23,25H,12-13H2,1-3H3;1H/t18?,20-,21+;/m1./s1
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| InChIKey |
XCXKFSMMFREDTK-SRJVRDNSSA-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