General Information of the Compound
| Compound ID |
CP0535122
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| Compound Name |
3-[1-[4-(3-nitrophenyl)phenoxy]-4-pyridin-4-ylbutan-2-yl]-1,3-diazinane-2,4-dione
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| Structure |
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| Formula |
C25H24N4O5
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| Molecular Weight |
460.49
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccncc2)N2C(=O)CCNC2=O)cc1
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| InChI |
InChI=1S/C25H24N4O5/c30-24-12-15-27-25(31)28(24)22(7-4-18-10-13-26-14-11-18)17-34-23-8-5-19(6-9-23)20-2-1-3-21(16-20)29(32)33/h1-3,5-6,8-11,13-14,16,22H,4,7,12,15,17H2,(H,27,31)
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| InChIKey |
ZZYVXLSQMIKCKV-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