General Information of the Compound
| Compound ID |
CP0207109
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| Compound Name |
(4S)-4-[2,4-difluoro-5-[[(5-methylpyridin-2-yl)amino]methyl]phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
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| Structure |
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| Formula |
C18H20F2N4S
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| Molecular Weight |
362.449
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| Canonical SMILES |
Cc1ccc(NCc2cc(c(F)cc2F)[C@]2(C)CCSC(N)=N2)nc1
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| InChI |
InChI=1S/C18H20F2N4S/c1-11-3-4-16(22-9-11)23-10-12-7-13(15(20)8-14(12)19)18(2)5-6-25-17(21)24-18/h3-4,7-9H,5-6,10H2,1-2H3,(H2,21,24)(H,22,23)/t18-/m0/s1
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| InChIKey |
ZZYSRRFOAYTMKM-SFHVURJKSA-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