General Information of the Compound
| Compound ID |
CP0307953
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| Compound Name |
[4-[bis(4-fluorophenyl)-hydroxymethyl]triazol-2-yl]-[2-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C29H28F2N4O3
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| Molecular Weight |
518.564
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| Canonical SMILES |
COc1ccc(CC2CCCCN2C(=O)n2ncc(n2)C(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C29H28F2N4O3/c1-38-26-15-5-20(6-16-26)18-25-4-2-3-17-34(25)28(36)35-32-19-27(33-35)29(37,21-7-11-23(30)12-8-21)22-9-13-24(31)14-10-22/h5-16,19,25,37H,2-4,17-18H2,1H3
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| InChIKey |
NEJATSOZXGUICW-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