General Information of the Compound
| Compound ID |
CP0439489
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| Compound Name |
N-[[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]methyl]cyclopentanamine
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| Structure |
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| Formula |
C15H18F2N4
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| Molecular Weight |
292.333
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| Canonical SMILES |
Cc1c(CNC2CCCC2)nnn1-c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C15H18F2N4/c1-10-15(9-18-11-4-2-3-5-11)19-20-21(10)12-6-7-13(16)14(17)8-12/h6-8,11,18H,2-5,9H2,1H3
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| InChIKey |
CLESYYRJXQSKDI-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