General Information of the Compound
| Compound ID |
CP0449105
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| Compound Name |
1-[1-[4-(3-nitrophenyl)phenoxy]-4-[4-(pyrrolidine-1-carbonyl)phenyl]butan-2-yl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C31H31N3O6
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| Molecular Weight |
541.604
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccc(cc2)C(=O)N2CCCC2)N2C(=O)CCC2=O)cc1
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| InChI |
InChI=1S/C31H31N3O6/c35-29-16-17-30(36)33(29)27(13-8-22-6-9-24(10-7-22)31(37)32-18-1-2-19-32)21-40-28-14-11-23(12-15-28)25-4-3-5-26(20-25)34(38)39/h3-7,9-12,14-15,20,27H,1-2,8,13,16-19,21H2
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| InChIKey |
UJMPIKROEUYDEU-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