General Information of the Compound
| Compound ID |
CP0498763
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| Compound Name |
(S)-1-(3-(4-((3-fluoropyrrolidin-1-yl)methyl)phenoxy)propyl)piperidine
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| Structure |
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| Formula |
C19H29FN2O
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| Molecular Weight |
320.452
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| Canonical SMILES |
F[C@H]1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)C1
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| InChI |
InChI=1S/C19H29FN2O/c20-18-9-13-22(16-18)15-17-5-7-19(8-6-17)23-14-4-12-21-10-2-1-3-11-21/h5-8,18H,1-4,9-16H2/t18-/m0/s1
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| InChIKey |
CNANVGDNJVODAU-SFHVURJKSA-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