General Information of the Compound
| Compound ID |
CP0853152
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| Compound Name |
(1S,2R)-1-(3,3-Diethyl-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 |
C22H30ClFN2O
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| Molecular Weight |
392.946
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| Canonical SMILES |
CCC1(CC)CN([C@@H](c2cccc(F)c2)[C@H](O)CNC)c2ccccc21.Cl
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| InChI |
InChI=1S/C22H29FN2O.ClH/c1-4-22(5-2)15-25(19-12-7-6-11-18(19)22)21(20(26)14-24-3)16-9-8-10-17(23)13-16;/h6-13,20-21,24,26H,4-5,14-15H2,1-3H3;1H/t20-,21+;/m1./s1
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| InChIKey |
IYXFYMMSRUEOGZ-BHDTVMLSSA-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