General Information of the Compound
| Compound ID |
CP0424079
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| Compound Name |
N-[3-[1-[3-[1-oxo-4-(2,3,4,5,6-pentafluorophenyl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C30H27F5N4O2
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| Molecular Weight |
570.562
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3c(F)c(F)c(F)c(F)c3F)c3ccccc3c2=O)CC1
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| InChI |
InChI=1S/C30H27F5N4O2/c1-17(40)36-20-7-4-6-19(16-20)18-10-14-38(15-11-18)12-5-13-39-30(41)22-9-3-2-8-21(22)29(37-39)23-24(31)26(33)28(35)27(34)25(23)32/h2-4,6-9,16,18H,5,10-15H2,1H3,(H,36,40)
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| InChIKey |
ZYWZWAPBWGKDQY-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