General Information of the Compound
| Compound ID |
CP0375690
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| Compound Name |
US8754075, 29
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| Structure |
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| Formula |
C15H14F2N4O2S
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| Molecular Weight |
352.366
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| Canonical SMILES |
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cncs2)ccc1F
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| InChI |
InChI=1S/C15H14F2N4O2S/c1-15(12(17)6-23-14(18)21-15)9-4-8(2-3-10(9)16)20-13(22)11-5-19-7-24-11/h2-5,7,12H,6H2,1H3,(H2,18,21)(H,20,22)/t12-,15+/m0/s1
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| InChIKey |
ANUKTVLUWWAZSN-SWLSCSKDSA-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