General Information of the Compound
| Compound ID |
CP0467623
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| Compound Name |
2-benzyl-1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
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| Structure |
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| Formula |
C38H40F6N2O4
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| Molecular Weight |
702.736
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| Canonical SMILES |
COc1cc(CN2CCN(C(COCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3ccccc3)C(Cc3ccccc3)C2)cc(OC)c1OC
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| InChI |
InChI=1S/C38H40F6N2O4/c1-47-34-19-27(20-35(48-2)36(34)49-3)22-45-14-15-46(32(23-45)18-26-10-6-4-7-11-26)33(29-12-8-5-9-13-29)25-50-24-28-16-30(37(39,40)41)21-31(17-28)38(42,43)44/h4-13,16-17,19-21,32-33H,14-15,18,22-25H2,1-3H3
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| InChIKey |
ONJMXWFIKVVLCT-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