General Information of the Compound
| Compound ID |
CP0249063
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| Compound Name |
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C18H17F4N5O2S
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| Molecular Weight |
443.426
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| Canonical SMILES |
C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F
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| InChI |
InChI=1S/C18H17F4N5O2S/c1-17(4-5-30-16(23)27-17)11-6-10(2-3-12(11)19)26-15(28)13-7-25-14(8-24-13)29-9-18(20,21)22/h2-3,6-8H,4-5,9H2,1H3,(H2,23,27)(H,26,28)/t17-/m0/s1
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| InChIKey |
DIQQTCZQBJWAIV-KRWDZBQOSA-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