General Information of the Compound
| Compound ID |
CP0572243
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| Compound Name |
US9428456, 1.095
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| Structure |
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| Formula |
C27H32F3N3O3
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| Molecular Weight |
503.565
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| Canonical SMILES |
FC(F)(F)Oc1ccccc1C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C27H32F3N3O3/c28-27(29,30)36-24-12-5-4-11-23(24)26(35)32-22-10-6-7-19(17-22)18-33-15-13-20(14-16-33)25(34)31-21-8-2-1-3-9-21/h4-7,10-12,17,20-21H,1-3,8-9,13-16,18H2,(H,31,34)(H,32,35)
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| InChIKey |
OXJUFUCFUDMDDX-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