General Information of the Compound
| Compound ID |
CP0874131
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| Compound Name |
4-(methyl(1-(4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl)piperidin-4-yl)carbamoyl)benzenesulfonic acid
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| Structure |
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| Formula |
C25H26N6O4S
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| Molecular Weight |
506.588
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| Canonical SMILES |
CN(C(=O)c1ccc(S(=O)(=O)O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1
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| InChI |
InChI=1S/C25H26N6O4S/c1-29(25(32)17-7-9-19(10-8-17)36(33,34)35)18-12-15-31(16-13-18)24-21-6-4-3-5-20(21)23(27-28-24)22-11-14-26-30(22)2/h3-11,14,18H,12-13,15-16H2,1-2H3,(H,33,34,35)
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| InChIKey |
CRKURCSXYQWAAI-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