General Information of the Compound
| Compound ID |
CP0210814
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| Compound Name |
1-[[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2,4-difluorophenyl]methylamino]cyclopropane-1-carbonitrile
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| Structure |
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| Formula |
C16H18F2N4S
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| Molecular Weight |
336.411
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| Canonical SMILES |
C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C#N)c(F)cc1F
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| InChI |
InChI=1S/C16H18F2N4S/c1-15(4-5-23-14(20)22-15)11-6-10(12(17)7-13(11)18)8-21-16(9-19)2-3-16/h6-7,21H,2-5,8H2,1H3,(H2,20,22)/t15-/m0/s1
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| InChIKey |
YHJPABZBDBCJQX-HNNXBMFYSA-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