General Information of the Compound
| Compound ID |
CP0426050
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| Compound Name |
1-[6,6-bis(4-fluorophenyl)hexyl]-4-[[4-methoxy-3,5-bis[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperazine-2,5-dione
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| Structure |
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| Formula |
C38H48F2N2O5
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| Molecular Weight |
650.807
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| Canonical SMILES |
COc1c(OC(C)(C)C)cc(CN2CC(=O)N(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2=O)cc1OC(C)(C)C
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| InChI |
InChI=1S/C38H48F2N2O5/c1-37(2,3)46-32-21-26(22-33(36(32)45-7)47-38(4,5)6)23-42-25-34(43)41(24-35(42)44)20-10-8-9-11-31(27-12-16-29(39)17-13-27)28-14-18-30(40)19-15-28/h12-19,21-22,31H,8-11,20,23-25H2,1-7H3
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| InChIKey |
KUNBACSNXCWFNF-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