General Information of the Compound
| Compound ID |
CP0152819
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| Compound Name |
benzyl N-[4-[4-[4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]butoxy]phenyl]but-3-ynyl]-N-hydroxycarbamate
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| Structure |
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| Formula |
C39H41F2N3O4
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| Molecular Weight |
653.77
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| Canonical SMILES |
ON(CCC#Cc1ccc(OCCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C39H41F2N3O4/c40-35-17-13-33(14-18-35)38(34-15-19-36(41)20-16-34)43-27-25-42(26-28-43)23-6-7-29-47-37-21-11-31(12-22-37)8-4-5-24-44(46)39(45)48-30-32-9-2-1-3-10-32/h1-3,9-22,38,46H,5-7,23-30H2
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| InChIKey |
LDPRUJUFFYEDJC-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