General Information of the Compound
| Compound ID |
CP0903610
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| Compound Name |
6-[[4-azido-3-(iodo-125I)phenyl]methyl]-2,6-dihydro-2-methyl-4-(2-methylpropyl)-1H-pyrrolo[3,4-d]pyridazin-1-one
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| Structure |
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| Formula |
C18H19IN6O
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| Molecular Weight |
460.2956302
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| Canonical SMILES |
CC(C)Cc1nn(C)c(=O)c2cn(Cc3ccc(N=[N+]=[N-])c([125I])c3)cc12
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| InChI |
InChI=1S/C18H19IN6O/c1-11(2)6-17-13-9-25(10-14(13)18(26)24(3)22-17)8-12-4-5-16(21-23-20)15(19)7-12/h4-5,7,9-11H,6,8H2,1-3H3/i19-2
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| InChIKey |
IQUBUSDCIITPSK-GBVACIEGSA-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