General Information of the Compound
| Compound ID |
CP0572675
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| Compound Name |
2-[4-bromo-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)phenoxy]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
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| Structure |
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| Formula |
C25H24BrN3O4
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| Molecular Weight |
510.388
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| Canonical SMILES |
Brc1ccc(OCC(=O)NC2CN(C2)C(=O)C=C)c(c1)C(=O)N1CC=C(C1)c1ccccc1
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| InChI |
InChI=1S/C25H24BrN3O4/c1-2-24(31)29-14-20(15-29)27-23(30)16-33-22-9-8-19(26)12-21(22)25(32)28-11-10-18(13-28)17-6-4-3-5-7-17/h2-10,12,20H,1,11,13-16H2,(H,27,30)
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| InChIKey |
FFGUVJHQGPXURJ-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