General Information of the Compound
| Compound ID |
CP0554295
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| Compound Name |
4-acetyl-N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C28H31N5O5S
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| Molecular Weight |
549.653
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| Canonical SMILES |
COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NS(=O)(=O)c1ccc(cc1)C(C)=O
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| InChI |
InChI=1S/C28H31N5O5S/c1-17-14-24(28-29-18(2)27(33(28)30-17)21-8-11-25(37-4)26(15-21)38-5)32-13-12-22(16-32)31-39(35,36)23-9-6-20(7-10-23)19(3)34/h6-11,14-15,22,31H,12-13,16H2,1-5H3/t22-/m1/s1
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| InChIKey |
DOMXZOBGDZTPPI-JOCHJYFZSA-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