General Information of the Compound
| Compound ID |
CP0426438
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| Compound Name |
N-[3-[(4R,5R)-2-amino-5-methoxy-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C18H19F2N5O3S
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| Molecular Weight |
423.445
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| Canonical SMILES |
CO[C@H]1CSC(N)=N[C@]1(C)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F
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| InChI |
InChI=1S/C18H19F2N5O3S/c1-18(14(27-2)8-29-17(21)25-18)11-5-10(3-4-12(11)20)24-16(26)13-6-23-15(7-22-13)28-9-19/h3-7,14H,8-9H2,1-2H3,(H2,21,25)(H,24,26)/t14-,18+/m0/s1
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| InChIKey |
MUPBDTQMTBLIBE-KBXCAEBGSA-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