General Information of the Compound
| Compound ID |
CP0080980
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| Compound Name |
(4S)-4-[5-[(1-bicyclo[1.1.1]pentanylamino)methyl]-2,4-difluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
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| Structure |
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| Formula |
C17H21F2N3S
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| Molecular Weight |
337.439
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| Canonical SMILES |
C[C@]1(CCSC(N)=N1)c1cc(CNC23CC(C2)C3)c(F)cc1F
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| InChI |
InChI=1S/C17H21F2N3S/c1-16(2-3-23-15(20)22-16)12-4-11(13(18)5-14(12)19)9-21-17-6-10(7-17)8-17/h4-5,10,21H,2-3,6-9H2,1H3,(H2,20,22)/t10?,16-,17?/m0/s1
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| InChIKey |
TYGINIZGIMDBFT-KJWVSFLRSA-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