General Information of the Compound
| Compound ID |
CP0445151
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| Compound Name |
N-[3-[(4S,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-5-fluorophenyl]-5-chloropyridine-2-carboxamide
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| Structure |
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| Formula |
C22H21ClFN5O2S
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| Molecular Weight |
473.961
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| Canonical SMILES |
Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cc(F)cc(NC(=O)c2ccc(Cl)cn2)c1
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| InChI |
InChI=1S/C22H21ClFN5O2S/c1-11-19(12(2)31-29-11)18-9-22(3,28-21(25)32-18)13-6-15(24)8-16(7-13)27-20(30)17-5-4-14(23)10-26-17/h4-8,10,18H,9H2,1-3H3,(H2,25,28)(H,27,30)/t18-,22-/m0/s1
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| InChIKey |
DWSSTHXMTZHSDM-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