General Information of the Compound
| Compound ID |
CP0577276
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| Compound Name |
US9428456, 1.104
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| Structure |
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| Formula |
C27H32F3N3O2
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| Molecular Weight |
487.566
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C27H32F3N3O2/c28-27(29,30)22-8-5-7-21(17-22)26(35)32-24-11-4-6-19(16-24)18-33-14-12-20(13-15-33)25(34)31-23-9-2-1-3-10-23/h4-8,11,16-17,20,23H,1-3,9-10,12-15,18H2,(H,31,34)(H,32,35)
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| InChIKey |
XIPLNXUEGPHBMO-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