General Information of the Compound
| Compound ID |
CP0527619
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| Compound Name |
N-[3-[1-[3-(1-oxo-4-phenylphthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C30H32N4O2
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| Molecular Weight |
480.612
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccccc3)c3ccccc3c2=O)CC1
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| InChI |
InChI=1S/C30H32N4O2/c1-22(35)31-26-12-7-11-25(21-26)23-15-19-33(20-16-23)17-8-18-34-30(36)28-14-6-5-13-27(28)29(32-34)24-9-3-2-4-10-24/h2-7,9-14,21,23H,8,15-20H2,1H3,(H,31,35)
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| InChIKey |
FDLFQOJULDFUDV-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