General Information of the Compound
| Compound ID |
CP0213393
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| Compound Name |
(4S)-4-[2,4-difluoro-5-[[[3-(trifluoromethyl)oxetan-3-yl]amino]methyl]phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
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| Structure |
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| Formula |
C16H18F5N3OS
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| Molecular Weight |
395.397
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| Canonical SMILES |
C[C@]1(CCSC(N)=N1)c1cc(CNC2(COC2)C(F)(F)F)c(F)cc1F
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| InChI |
InChI=1S/C16H18F5N3OS/c1-14(2-3-26-13(22)24-14)10-4-9(11(17)5-12(10)18)6-23-15(7-25-8-15)16(19,20)21/h4-5,23H,2-3,6-8H2,1H3,(H2,22,24)/t14-/m0/s1
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| InChIKey |
QAKZCMKEOGZLLP-AWEZNQCLSA-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