General Information of the Compound
| Compound ID |
CP0486306
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| Compound Name |
US9266876, 214
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| Structure |
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| Formula |
C26H31F3N8OS
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| Molecular Weight |
560.65
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1nc(C)c(CN(C)C)c1C)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C26H31F3N8OS/c1-15-12-35(10-11-36(15)21(38)14-37-17(3)18(13-34(4)5)16(2)33-37)24-22(32-25(39-24)26(27,28)29)23-30-19-8-6-7-9-20(19)31-23/h6-9,15H,10-14H2,1-5H3,(H,30,31)/t15-/m1/s1
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| InChIKey |
HUNIUXWXOPNBDL-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