General Information of the Compound
| Compound ID |
CP0329469
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| Compound Name |
[2-[(4-fluorophenoxy)methyl]piperidin-1-yl]-[4-[hydroxy(diphenyl)methyl]triazol-2-yl]methanone
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| Structure |
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| Formula |
C28H27FN4O3
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| Molecular Weight |
486.547
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| Canonical SMILES |
OC(c1cnn(n1)C(=O)N1CCCCC1COc1ccc(F)cc1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H27FN4O3/c29-23-14-16-25(17-15-23)36-20-24-13-7-8-18-32(24)27(34)33-30-19-26(31-33)28(35,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,14-17,19,24,35H,7-8,13,18,20H2
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| InChIKey |
FMFOIFSQAVUIAT-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