General Information of the Compound
| Compound ID |
CP0498309
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| Compound Name |
N-[3-[1-[3-[4-(4-chlorophenyl)-6-methyl-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C31H33ClN4O2
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| Molecular Weight |
529.084
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)cc3)c3cc(C)ccc3c2=O)CC1
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| InChI |
InChI=1S/C31H33ClN4O2/c1-21-7-12-28-29(19-21)30(24-8-10-26(32)11-9-24)34-36(31(28)38)16-4-15-35-17-13-23(14-18-35)25-5-3-6-27(20-25)33-22(2)37/h3,5-12,19-20,23H,4,13-18H2,1-2H3,(H,33,37)
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| InChIKey |
IBZBJTNMIVRHAR-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