General Information of the Compound
| Compound ID |
CP0874125
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| Compound Name |
4-(dimethylamino)-N-methyl-N-(1-(4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl)piperidin-4-yl)benzamide
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| Structure |
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| Formula |
C27H31N7O
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| Molecular Weight |
469.593
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| Canonical SMILES |
CN(C)c1ccc(C(=O)N(C)C2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)cc1
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| InChI |
InChI=1S/C27H31N7O/c1-31(2)20-11-9-19(10-12-20)27(35)32(3)21-14-17-34(18-15-21)26-23-8-6-5-7-22(23)25(29-30-26)24-13-16-28-33(24)4/h5-13,16,21H,14-15,17-18H2,1-4H3
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| InChIKey |
DNOPEPQGOQOIGR-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