General Information of the Compound
| Compound ID |
CP0482755
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| Compound Name |
1-[1-[4-(3-nitrophenyl)phenoxy]-4-[4-(pyrrolidine-1-carbonyl)phenyl]butan-2-yl]piperidine-2,6-dione
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| Structure |
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| Formula |
C32H33N3O6
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| Molecular Weight |
555.631
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccc(cc2)C(=O)N2CCCC2)N2C(=O)CCCC2=O)cc1
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| InChI |
InChI=1S/C32H33N3O6/c36-30-7-4-8-31(37)34(30)28(16-11-23-9-12-25(13-10-23)32(38)33-19-1-2-20-33)22-41-29-17-14-24(15-18-29)26-5-3-6-27(21-26)35(39)40/h3,5-6,9-10,12-15,17-18,21,28H,1-2,4,7-8,11,16,19-20,22H2
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| InChIKey |
OIQHRVDVWJFKNA-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