General Information of the Compound
| Compound ID |
CP0494876
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| Compound Name |
US9266876, 103
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| Structure |
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| Formula |
C26H23F3N6O2S
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| Molecular Weight |
540.571
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)CN1C(=O)Cc2ccccc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C26H23F3N6O2S/c1-15-13-33(10-11-34(15)21(37)14-35-19-9-5-2-6-16(19)12-20(35)36)24-22(32-25(38-24)26(27,28)29)23-30-17-7-3-4-8-18(17)31-23/h2-9,15H,10-14H2,1H3,(H,30,31)/t15-/m1/s1
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| InChIKey |
DLXBKKRZSRYMDL-OAHLLOKOSA-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