General Information of the Compound
| Compound ID |
CP0523516
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| Compound Name |
N-[3-[1-[3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C31H34N4O2
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| Molecular Weight |
494.639
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1
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| InChI |
InChI=1S/C31H34N4O2/c1-22-11-13-25(14-12-22)30-28-9-3-4-10-29(28)31(37)35(33-30)18-6-17-34-19-15-24(16-20-34)26-7-5-8-27(21-26)32-23(2)36/h3-5,7-14,21,24H,6,15-20H2,1-2H3,(H,32,36)
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| InChIKey |
YAORFPRBMUAWRL-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