General Information of the Compound
| Compound ID |
CP0301325
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| Compound Name |
N-[(2R)-2,3-dihydroxypropoxy]-7-(2-fluoro-4-iodoanilino)-1,2-benzothiazole-6-carboxamide
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| Structure |
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| Formula |
C17H15FIN3O4S
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| Molecular Weight |
503.293
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| Canonical SMILES |
OC[C@@H](O)CONC(=O)c1ccc2cnsc2c1Nc1ccc(I)cc1F
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| InChI |
InChI=1S/C17H15FIN3O4S/c18-13-5-10(19)2-4-14(13)21-15-12(3-1-9-6-20-27-16(9)15)17(25)22-26-8-11(24)7-23/h1-6,11,21,23-24H,7-8H2,(H,22,25)/t11-/m1/s1
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| InChIKey |
FOOQXAKAICKOPK-LLVKDONJSA-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