General Information of the Compound
| Compound ID |
CP0570791
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| Compound Name |
3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-[(3R)-3-(sulfamoylamino)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
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| Structure |
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| Formula |
C20H26N6O4S
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| Molecular Weight |
446.533
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| Canonical SMILES |
COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NS(N)(=O)=O
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| InChI |
InChI=1S/C20H26N6O4S/c1-12-9-16(25-8-7-15(11-25)24-31(21,27)28)20-22-13(2)19(26(20)23-12)14-5-6-17(29-3)18(10-14)30-4/h5-6,9-10,15,24H,7-8,11H2,1-4H3,(H2,21,27,28)/t15-/m1/s1
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| InChIKey |
YJHAFINGLSRXJE-OAHLLOKOSA-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