General Information of the Compound
| Compound ID |
CP0550678
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| Compound Name |
2-[(2S)-2,3-dihydroxypropyl]-8-(2-fluoro-4-iodoanilino)-4-methylpyrido[3,4-d]pyridazin-1-one
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| Structure |
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| Formula |
C17H16FIN4O3
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| Molecular Weight |
470.242
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| Canonical SMILES |
Cc1nn(C[C@H](O)CO)c(=O)c2c(Nc3ccc(I)cc3F)cncc12
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| InChI |
InChI=1S/C17H16FIN4O3/c1-9-12-5-20-6-15(21-14-3-2-10(19)4-13(14)18)16(12)17(26)23(22-9)7-11(25)8-24/h2-6,11,21,24-25H,7-8H2,1H3/t11-/m0/s1
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| InChIKey |
ZMQBHUBJRQGSDG-NSHDSACASA-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