General Information of the Compound
| Compound ID |
CP0319000
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| Compound Name |
7-fluoro-3-(2-fluoro-4-iodoanilino)-N-[(2S)-2-hydroxypropoxy]furo[3,2-c]pyridine-2-carboxamide
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| Synonyms |
1009333-44-1
7-Fluoro-3-[(2-Fluoro-4-Iodophenyl)amino]-N-{[(2s)-2-Hydroxypropyl]oxy}furo[3,2-C]pyridine-2-Carboxamide
BDBM50420694
CHEBI:83404
CHEMBL2087078
G-573
KB-77496
SCHEMBL12164599
ZINC43207624
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| Structure |
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| Formula |
C17H14F2IN3O4
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| Molecular Weight |
489.216
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| Canonical SMILES |
C[C@H](O)CONC(=O)c1oc2c(F)cncc2c1Nc1ccc(I)cc1F
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| InChI |
InChI=1S/C17H14F2IN3O4/c1-8(24)7-26-23-17(25)16-14(10-5-21-6-12(19)15(10)27-16)22-13-3-2-9(20)4-11(13)18/h2-6,8,22,24H,7H2,1H3,(H,23,25)/t8-/m0/s1
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| InChIKey |
ZEZHPEIEEFTILY-QMMMGPOBSA-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000045 | A-375 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 23 nM
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| CL000067 | HCT 116 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 175 nM
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Clinical Information about the Compound