General Information of the Compound
| Compound ID |
CP0236143
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| Compound Name |
(4S)-4-[2,4-difluoro-5-[(3-methoxypropylamino)methyl]phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
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| Structure |
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| Formula |
C16H23F2N3OS
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| Molecular Weight |
343.443
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| Canonical SMILES |
COCCCNCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1
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| InChI |
InChI=1S/C16H23F2N3OS/c1-16(4-7-23-15(19)21-16)12-8-11(13(17)9-14(12)18)10-20-5-3-6-22-2/h8-9,20H,3-7,10H2,1-2H3,(H2,19,21)/t16-/m0/s1
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| InChIKey |
GRUDLDUJVATURL-INIZCTEOSA-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