General Information of the Compound
| Compound ID |
CP0554877
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| Compound Name |
1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
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| Structure |
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| Formula |
C15H20FN5O
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| Molecular Weight |
305.357
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| Canonical SMILES |
Fc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1
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| InChI |
InChI=1S/C15H20FN5O/c16-14-3-1-13(2-4-14)11-21-12-15(18-19-21)17-5-6-20-7-9-22-10-8-20/h1-4,12,17H,5-11H2
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| InChIKey |
GSEQLNPXMSFSKV-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