General Information of the Compound
| Compound ID |
CP0379773
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| Compound Name |
US9278960, 7-29
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| Structure |
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| Formula |
C25H21F5N4O3
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| Molecular Weight |
520.458
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| Canonical SMILES |
CCC(O)(c1cn(Cc2ccc3c(cc(nc3c2F)C(N)=O)-c2ccc(OC)cc2F)cn1)C(F)(F)F
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| InChI |
InChI=1S/C25H21F5N4O3/c1-3-24(36,25(28,29)30)20-11-34(12-32-20)10-13-4-6-16-17(15-7-5-14(37-2)8-18(15)26)9-19(23(31)35)33-22(16)21(13)27/h4-9,11-12,36H,3,10H2,1-2H3,(H2,31,35)
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| InChIKey |
SBTKCZKLFLBSNF-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