General Information of the Compound
| Compound ID |
CP0524076
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| Compound Name |
2-(2-methoxyphenyl)-N-(3-methyl-4-(1-oxo-4,9-bis(2,2,2-trifluoroethoxy)-1H-benzo[f]isoindol-2(3H)-yl)phenethyl)acetamide
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| Structure |
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| Formula |
C34H30F6N2O5
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| Molecular Weight |
660.611
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| Canonical SMILES |
COc1ccccc1CC(=O)NCCc1ccc(N2Cc3c(C2=O)c(OCC(F)(F)F)c2ccccc2c3OCC(F)(F)F)c(C)c1
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| InChI |
InChI=1S/C34H30F6N2O5/c1-20-15-21(13-14-41-28(43)16-22-7-3-6-10-27(22)45-2)11-12-26(20)42-17-25-29(32(42)44)31(47-19-34(38,39)40)24-9-5-4-8-23(24)30(25)46-18-33(35,36)37/h3-12,15H,13-14,16-19H2,1-2H3,(H,41,43)
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| InChIKey |
ROHDIUCFQXZBRB-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