General Information of the Compound
| Compound ID |
CP0116312
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| Compound Name |
2-[(2S)-2,3-dihydroxypropyl]-8-(2-fluoro-4-iodoanilino)pyrido[3,4-d]pyridazin-1-one
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| Structure |
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| Formula |
C16H14FIN4O3
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| Molecular Weight |
456.215
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| Canonical SMILES |
OC[C@@H](O)Cn1ncc2cncc(Nc3ccc(I)cc3F)c2c1=O
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| InChI |
InChI=1S/C16H14FIN4O3/c17-12-3-10(18)1-2-13(12)21-14-6-19-4-9-5-20-22(7-11(24)8-23)16(25)15(9)14/h1-6,11,21,23-24H,7-8H2/t11-/m0/s1
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| InChIKey |
MXABEVYDQHVOES-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
Protein ID: PT01080, Dual specificity mitogen-activated protein kinase kinase 1