General Information of the Compound
| Compound ID |
CP0483302
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| Compound Name |
US9266876, 193
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| Structure |
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| Formula |
C22H19F6N7OS
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| Molecular Weight |
543.497
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1ccc(n1)C(F)(F)F)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C22H19F6N7OS/c1-12-10-33(8-9-35(12)16(36)11-34-7-6-15(32-34)21(23,24)25)19-17(31-20(37-19)22(26,27)28)18-29-13-4-2-3-5-14(13)30-18/h2-7,12H,8-11H2,1H3,(H,29,30)/t12-/m1/s1
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| InChIKey |
YAJYRIBOXJEWBE-GFCCVEGCSA-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