General Information of the Compound
| Compound ID |
CP0558517
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| Compound Name |
(4S)-4-[2,4-difluoro-5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
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| Structure |
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| Formula |
C17H23F2N3OS
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| Molecular Weight |
355.454
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| Canonical SMILES |
CO[C@@H]1CCN(Cc2cc(c(F)cc2F)[C@]2(C)CCSC(N)=N2)C1
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| InChI |
InChI=1S/C17H23F2N3OS/c1-17(4-6-24-16(20)21-17)13-7-11(14(18)8-15(13)19)9-22-5-3-12(10-22)23-2/h7-8,12H,3-6,9-10H2,1-2H3,(H2,20,21)/t12-,17+/m1/s1
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| InChIKey |
FSKVGYAMIKBJFU-PXAZEXFGSA-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