General Information of the Compound
| Compound ID |
CP0520932
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| Compound Name |
N-[(3R)-1-[2,6-dimethyl-3-(4-methylsulfanylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
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| Structure |
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| Formula |
C21H25N5OS
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| Molecular Weight |
395.532
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| Canonical SMILES |
CSc1ccc(cc1)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(C)=O
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| InChI |
InChI=1S/C21H25N5OS/c1-13-11-19(25-10-9-17(12-25)23-15(3)27)21-22-14(2)20(26(21)24-13)16-5-7-18(28-4)8-6-16/h5-8,11,17H,9-10,12H2,1-4H3,(H,23,27)/t17-/m1/s1
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| InChIKey |
MKNLNYPXJFOEJD-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