General Information of the Compound
| Compound ID |
CP0479690
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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]cyclopropanesulfonamide
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| Structure |
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| Formula |
C23H29N5O4S
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| Molecular Weight |
471.583
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| Canonical SMILES |
COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NS(=O)(=O)C1CC1
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| InChI |
InChI=1S/C23H29N5O4S/c1-14-11-19(27-10-9-17(13-27)26-33(29,30)18-6-7-18)23-24-15(2)22(28(23)25-14)16-5-8-20(31-3)21(12-16)32-4/h5,8,11-12,17-18,26H,6-7,9-10,13H2,1-4H3/t17-/m1/s1
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| InChIKey |
YMSHDXHDMHOGPH-QGZVFWFLSA-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