General Information of the Compound
| Compound ID |
CP0417468
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| Compound Name |
(R,S/S,R)-syn-1-(4-chlorophenyl)-1-(methyl(phenyl)amino)-3-(methylamino)propan-2-ol
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| Structure |
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| Formula |
C17H21ClN2O
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| Molecular Weight |
304.821
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| Canonical SMILES |
CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C17H21ClN2O/c1-19-12-16(21)17(13-8-10-14(18)11-9-13)20(2)15-6-4-3-5-7-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1
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| InChIKey |
ITZFVZTXKPPHPP-SJORKVTESA-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