General Information of the Compound
| Compound ID |
CP0467481
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| Compound Name |
N-[3-[1-[3-[1-oxo-4-(2,3,5-trifluorophenyl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C30H29F3N4O2
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| Molecular Weight |
534.582
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3cc(F)cc(F)c3F)c3ccccc3c2=O)CC1
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| InChI |
InChI=1S/C30H29F3N4O2/c1-19(38)34-23-7-4-6-21(16-23)20-10-14-36(15-11-20)12-5-13-37-30(39)25-9-3-2-8-24(25)29(35-37)26-17-22(31)18-27(32)28(26)33/h2-4,6-9,16-18,20H,5,10-15H2,1H3,(H,34,38)
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| InChIKey |
YSEMDDIGVSGXKZ-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