General Information of the Compound
| Compound ID |
CP0528898
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| Compound Name |
N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopentanamine
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| Structure |
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| Formula |
C17H20FN3O
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| Molecular Weight |
301.365
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| Canonical SMILES |
COc1cc(F)ccc1-c1cncc(CNC2CCCC2)n1
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| InChI |
InChI=1S/C17H20FN3O/c1-22-17-8-12(18)6-7-15(17)16-11-19-9-14(21-16)10-20-13-4-2-3-5-13/h6-9,11,13,20H,2-5,10H2,1H3
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| InChIKey |
NUNBCOKRRSELLT-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