General Information of the Compound
| Compound ID |
CP0411415
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| Compound Name |
1-[6,6-bis(4-fluorophenyl)hexyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
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| Structure |
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| Formula |
C32H40F2N2O3
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| Molecular Weight |
538.679
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| Canonical SMILES |
COc1cc(CN2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1OC
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| InChI |
InChI=1S/C32H40F2N2O3/c1-37-30-21-24(22-31(38-2)32(30)39-3)23-36-19-17-35(18-20-36)16-6-4-5-7-29(25-8-12-27(33)13-9-25)26-10-14-28(34)15-11-26/h8-15,21-22,29H,4-7,16-20,23H2,1-3H3
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| InChIKey |
FSLMXULFVDTVHG-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