General Information of the Compound
| Compound ID |
CP0528855
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| Compound Name |
N-[3-[(4S,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl]-5-bromopyridine-2-carboxamide
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| Structure |
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| Formula |
C21H19BrFN5O2S
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| Molecular Weight |
504.385
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| Canonical SMILES |
Cc1noc(C)c1[C@@H]1C[C@H](N=C(N)S1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F
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| InChI |
InChI=1S/C21H19BrFN5O2S/c1-10-19(11(2)30-28-10)18-8-17(27-21(24)31-18)14-7-13(4-5-15(14)23)26-20(29)16-6-3-12(22)9-25-16/h3-7,9,17-18H,8H2,1-2H3,(H2,24,27)(H,26,29)/t17-,18-/m0/s1
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| InChIKey |
FUYTWXXAKIOQLY-ROUUACIJSA-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