General Information of the Compound
| Compound ID |
CP0535538
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| Compound Name |
US9278960, 3-46
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| Structure |
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| Formula |
C26H25F3N4O4
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| Molecular Weight |
514.504
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| Canonical SMILES |
CCC(O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(OC)c(OC)c2)cn1)C(F)(F)F
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| InChI |
InChI=1S/C26H25F3N4O4/c1-4-25(35,26(27,28)29)23-13-33(14-31-23)12-15-5-7-17-18(11-20(24(30)34)32-19(17)9-15)16-6-8-21(36-2)22(10-16)37-3/h5-11,13-14,35H,4,12H2,1-3H3,(H2,30,34)
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| InChIKey |
YONGFTMLRNQUHX-UHFFFAOYSA-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