General Information of the Compound
| Compound ID |
CP0445187
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| Compound Name |
US9340500, I-058
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| Structure |
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| Formula |
C32H28F3N3O3
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| Molecular Weight |
559.588
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| Canonical SMILES |
CN(CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)c1ccc2occc2c1
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| InChI |
InChI=1S/C32H28F3N3O3/c1-21-27(30(39)36-26-11-6-10-25(19-26)32(33,34)35)20-28(22-8-4-3-5-9-22)38(21)16-7-15-37(2)31(40)24-12-13-29-23(18-24)14-17-41-29/h3-6,8-14,17-20H,7,15-16H2,1-2H3,(H,36,39)
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| InChIKey |
FFEMHYUGOAEAHG-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