General Information of the Compound
| Compound ID |
CP0454999
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| Compound Name |
6-[(2-chloroquinolin-4-yl)methyl]-5-(3-hydroxypropylsulfanyl)-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one
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| Structure |
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| Formula |
C24H27ClN4O2S
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| Molecular Weight |
471.026
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| Canonical SMILES |
CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cc(Cl)nc4ccccc34)cc12
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| InChI |
InChI=1S/C24H27ClN4O2S/c1-15(2)11-20-18-14-29(13-16-12-21(25)26-19-8-5-4-7-17(16)19)24(32-10-6-9-30)22(18)23(31)28(3)27-20/h4-5,7-8,12,14-15,30H,6,9-11,13H2,1-3H3
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| InChIKey |
MZBFYCUATVKWIH-UHFFFAOYSA-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