General Information of the Compound
| Compound ID |
CP0561924
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| Compound Name |
N-[5-[(4S,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2,4-difluorophenyl]-5-chloropyridine-2-carboxamide
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| Structure |
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| Formula |
C22H20ClF2N5O2S
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| Molecular Weight |
491.951
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| Canonical SMILES |
Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(Cl)cn2)c(F)cc1F
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| InChI |
InChI=1S/C22H20ClF2N5O2S/c1-10-19(11(2)32-30-10)18-8-22(3,29-21(26)33-18)13-6-17(15(25)7-14(13)24)28-20(31)16-5-4-12(23)9-27-16/h4-7,9,18H,8H2,1-3H3,(H2,26,29)(H,28,31)/t18-,22-/m0/s1
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| InChIKey |
YTXPWKAAQCLYBO-AVRDEDQJSA-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