General Information of the Compound
| Compound ID |
CP0442542
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| Compound Name |
US8791272, 2.45
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| Structure |
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| Formula |
C32H24F3N3O3
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| Molecular Weight |
555.556
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| Canonical SMILES |
OC(=O)Cc1c(nn(Cc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)c1-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C32H24F3N3O3/c33-32(34,35)25-15-13-24(14-16-25)31(41)36-26-17-11-21(12-18-26)20-38-30(23-9-5-2-6-10-23)27(19-28(39)40)29(37-38)22-7-3-1-4-8-22/h1-18H,19-20H2,(H,36,41)(H,39,40)
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| InChIKey |
MUZHEVDXUPYOHW-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