General Information of the Compound
| Compound ID |
CP0418750
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| Compound Name |
(1S,2R)-1-(4-chloro-1H-indol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
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| Structure |
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| Formula |
C18H18ClFN2O
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| Molecular Weight |
332.806
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| Canonical SMILES |
CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2c(Cl)cccc12
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| InChI |
InChI=1S/C18H18ClFN2O/c1-21-11-17(23)18(12-4-2-5-13(20)10-12)22-9-8-14-15(19)6-3-7-16(14)22/h2-10,17-18,21,23H,11H2,1H3/t17-,18+/m1/s1
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| InChIKey |
SQRPNDYXHFVWJL-MSOLQXFVSA-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