General Information of the Compound
| Compound ID |
CP0853153
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| Compound Name |
(1S,2R)-1-(3-Fluorophenyl)-3-(methylamino)-1-spiro[cyclopentane-1,3'-indol]-1'(2'H)-ylpropan-2-ol Hydrochloride
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| Structure |
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| Formula |
C22H28ClFN2O
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| Molecular Weight |
390.93
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| Canonical SMILES |
CNC[C@@H](O)[C@H](c1cccc(F)c1)N1CC2(CCCC2)c2ccccc21.Cl
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| InChI |
InChI=1S/C22H27FN2O.ClH/c1-24-14-20(26)21(16-7-6-8-17(23)13-16)25-15-22(11-4-5-12-22)18-9-2-3-10-19(18)25;/h2-3,6-10,13,20-21,24,26H,4-5,11-12,14-15H2,1H3;1H/t20-,21+;/m1./s1
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| InChIKey |
VKFRVICFXISTJZ-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