General Information of the Compound
| Compound ID |
CP0451613
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| Compound Name |
US9428456, 1.153
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| Structure |
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| Formula |
C28H32F5N3O2
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| Molecular Weight |
537.573
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| Canonical SMILES |
FC(F)(F)C(F)(F)c1ccc(cc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C28H32F5N3O2/c29-27(30,28(31,32)33)22-11-9-20(10-12-22)25(37)35-24-8-4-5-19(17-24)18-36-15-13-21(14-16-36)26(38)34-23-6-2-1-3-7-23/h4-5,8-12,17,21,23H,1-3,6-7,13-16,18H2,(H,34,38)(H,35,37)
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| InChIKey |
REEGBRRYOJAZHA-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