General Information of the Compound
| Compound ID |
CP0403726
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| Compound Name |
N-[3-[1-[3-[4-(4-cyanophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C31H31N5O2
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| Molecular Weight |
505.622
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(cc3)C#N)c3ccccc3c2=O)CC1
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| InChI |
InChI=1S/C31H31N5O2/c1-22(37)33-27-7-4-6-26(20-27)24-14-18-35(19-15-24)16-5-17-36-31(38)29-9-3-2-8-28(29)30(34-36)25-12-10-23(21-32)11-13-25/h2-4,6-13,20,24H,5,14-19H2,1H3,(H,33,37)
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| InChIKey |
GTIKTNOFZPJLQE-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