General Information of the Compound
| Compound ID |
CP0141098
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| Compound Name |
(2-benzylpiperidin-1-yl)-[4-[bis(4-fluorophenyl)-methoxymethyl]triazol-2-yl]methanone
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| Structure |
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| Formula |
C29H28F2N4O2
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| Molecular Weight |
502.565
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| Canonical SMILES |
COC(c1cnn(n1)C(=O)N1CCCCC1Cc1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C29H28F2N4O2/c1-37-29(22-10-14-24(30)15-11-22,23-12-16-25(31)17-13-23)27-20-32-35(33-27)28(36)34-18-6-5-9-26(34)19-21-7-3-2-4-8-21/h2-4,7-8,10-17,20,26H,5-6,9,18-19H2,1H3
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| InChIKey |
KZYUAIOXQXAZBQ-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