General Information of the Compound
| Compound ID |
CP0905421
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| Compound Name |
N-methyl-N-(1-(4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl)piperidin-4-yl)-4-(2-oxoethyl)benzamide
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| Structure |
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| Formula |
C27H28N6O2
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| Molecular Weight |
468.561
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| Canonical SMILES |
CN(C(=O)c1ccc(CC=O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1
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| InChI |
InChI=1S/C27H28N6O2/c1-31(27(35)20-9-7-19(8-10-20)14-18-34)21-12-16-33(17-13-21)26-23-6-4-3-5-22(23)25(29-30-26)24-11-15-28-32(24)2/h3-11,15,18,21H,12-14,16-17H2,1-2H3
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| InChIKey |
QJYBXCBQIYMXIC-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