General Information of the Compound
| Compound ID |
CP0569100
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| Compound Name |
US9187424, 54
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| Structure |
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| Formula |
C33H26F4N2O3
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| Molecular Weight |
574.574
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C(=O)Nc2ccc(F)cc2)C(=O)NC(C1)(c1ccc(OCc2ccccc2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C33H26F4N2O3/c1-21-7-9-23(10-8-21)28-19-32(33(35,36)37,24-11-17-27(18-12-24)42-20-22-5-3-2-4-6-22)39-31(41)29(28)30(40)38-26-15-13-25(34)14-16-26/h2-18H,19-20H2,1H3,(H,38,40)(H,39,41)
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| InChIKey |
ORGWHBXUXVTCFE-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