General Information of the Compound
| Compound ID |
CP0427040
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| Compound Name |
4-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-oxobutanoic acid
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| Structure |
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| Formula |
C26H30FN5O4
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| Molecular Weight |
495.555
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| Canonical SMILES |
CC(C)c1cc(nn2cc(nc12)C(=O)N1CCN(CC1(C)C)C(=O)CCC(O)=O)-c1ccc(F)cc1
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| InChI |
InChI=1S/C26H30FN5O4/c1-16(2)19-13-20(17-5-7-18(27)8-6-17)29-32-14-21(28-24(19)32)25(36)31-12-11-30(15-26(31,3)4)22(33)9-10-23(34)35/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,34,35)
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| InChIKey |
HWMWBKDKJCKQAH-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