General Information of the Compound
| Compound ID |
CP0539777
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| Compound Name |
N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C27H28F3N5O4S
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| Molecular Weight |
575.613
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| Canonical SMILES |
COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NS(=O)(=O)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H28F3N5O4S/c1-16-13-22(26-31-17(2)25(35(26)32-16)18-5-10-23(38-3)24(14-18)39-4)34-12-11-20(15-34)33-40(36,37)21-8-6-19(7-9-21)27(28,29)30/h5-10,13-14,20,33H,11-12,15H2,1-4H3/t20-/m1/s1
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| InChIKey |
HDZKMZXCUGUBNV-HXUWFJFHSA-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