General Information of the Compound
| Compound ID |
CP0329470
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| Compound Name |
[4-[bis(4-fluorophenyl)-hydroxymethyl]triazol-2-yl]-[2-(phenoxymethyl)piperidin-1-yl]methanone
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| Structure |
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| Formula |
C28H26F2N4O3
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| Molecular Weight |
504.537
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| Canonical SMILES |
OC(c1cnn(n1)C(=O)N1CCCCC1COc1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H26F2N4O3/c29-22-13-9-20(10-14-22)28(36,21-11-15-23(30)16-12-21)26-18-31-34(32-26)27(35)33-17-5-4-6-24(33)19-37-25-7-2-1-3-8-25/h1-3,7-16,18,24,36H,4-6,17,19H2
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| InChIKey |
WDIBAIMOQFGINL-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