General Information of the Compound
| Compound ID |
CP0511335
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| Compound Name |
1,5,5-trimethyl-3-[1-[4-(3-nitrophenyl)phenoxy]-4-pyridin-4-ylbutan-2-yl]imidazolidine-2,4-dione
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| Structure |
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| Formula |
C27H28N4O5
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| Molecular Weight |
488.544
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| Canonical SMILES |
CN1C(=O)N(C(CCc2ccncc2)COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)C(=O)C1(C)C
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| InChI |
InChI=1S/C27H28N4O5/c1-27(2)25(32)30(26(33)29(27)3)23(10-7-19-13-15-28-16-14-19)18-36-24-11-8-20(9-12-24)21-5-4-6-22(17-21)31(34)35/h4-6,8-9,11-17,23H,7,10,18H2,1-3H3
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| InChIKey |
OOFPNOMLOCGMBW-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