General Information of the Compound
| Compound ID |
CP0494877
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| Compound Name |
US9266876, 104
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| Structure |
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| Formula |
C24H21F3N8O2S
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| Molecular Weight |
542.547
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1c2ncccc2[nH]c1=O)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C24H21F3N8O2S/c1-13-11-33(9-10-34(13)17(36)12-35-20-16(31-23(35)37)7-4-8-28-20)21-18(32-22(38-21)24(25,26)27)19-29-14-5-2-3-6-15(14)30-19/h2-8,13H,9-12H2,1H3,(H,29,30)(H,31,37)/t13-/m1/s1
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| InChIKey |
DYOFIXNFEMVOEC-CYBMUJFWSA-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