General Information of the Compound
| Compound ID |
CP0468021
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| Compound Name |
5,5-dimethyl-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 |
C26H26N4O5
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| Molecular Weight |
474.517
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| Canonical SMILES |
CC1(C)NC(=O)N(C(CCc2ccncc2)COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)C1=O
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| InChI |
InChI=1S/C26H26N4O5/c1-26(2)24(31)29(25(32)28-26)22(9-6-18-12-14-27-15-13-18)17-35-23-10-7-19(8-11-23)20-4-3-5-21(16-20)30(33)34/h3-5,7-8,10-16,22H,6,9,17H2,1-2H3,(H,28,32)
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| InChIKey |
CWFGTQRBOWQTSL-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