General Information of the Compound
| Compound ID |
CP0465783
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| Compound Name |
N-[3-[(4S)-2-amino-4-(fluoromethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
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| Formula |
C18H15F2N5OS
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| Molecular Weight |
387.415
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| Canonical SMILES |
NC1=N[C@@](CF)(CCS1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
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| InChI |
InChI=1S/C18H15F2N5OS/c19-10-18(5-6-27-17(22)25-18)13-7-12(2-3-14(13)20)24-16(26)15-4-1-11(8-21)9-23-15/h1-4,7,9H,5-6,10H2,(H2,22,25)(H,24,26)/t18-/m1/s1
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| InChIKey |
PZRNJYQTIQFCMR-GOSISDBHSA-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