General Information of the Compound
| Compound ID |
CP0124717
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| Compound Name |
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
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| Structure |
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| Formula |
C17H18FN5O2S
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| Molecular Weight |
375.429
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| Canonical SMILES |
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1
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| InChI |
InChI=1S/C17H18FN5O2S/c1-17(5-6-26-16(19)23-17)11-7-10(3-4-12(11)18)22-15(24)13-8-21-14(25-2)9-20-13/h3-4,7-9H,5-6H2,1-2H3,(H2,19,23)(H,22,24)/t17-/m0/s1
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| InChIKey |
XVSCHNRASRAPMA-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