General Information of the Compound
| Compound ID |
CP0175671
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| Compound Name |
[1-[(2-aminopyridin-4-yl)methyl]-4-fluoropiperidin-4-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
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| Structure |
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| Formula |
C26H34FN5O
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| Molecular Weight |
451.59
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| Canonical SMILES |
Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2CCc3ccccc3C2)ccn1
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| InChI |
InChI=1S/C26H34FN5O/c27-26(9-15-30(16-10-26)18-20-5-11-29-24(28)17-20)25(33)31-13-7-23(8-14-31)32-12-6-21-3-1-2-4-22(21)19-32/h1-5,11,17,23H,6-10,12-16,18-19H2,(H2,28,29)
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| InChIKey |
STNAHDQLZLCSLS-UHFFFAOYSA-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