General Information of the Compound
| Compound ID |
CP0554408
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| Compound Name |
US9428456, 1.124
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| Structure |
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| Formula |
C27H34FN3O3
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| Molecular Weight |
467.585
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| Canonical SMILES |
COc1cc(F)cc(c1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C27H34FN3O3/c1-34-25-16-21(15-22(28)17-25)27(33)30-24-9-5-6-19(14-24)18-31-12-10-20(11-13-31)26(32)29-23-7-3-2-4-8-23/h5-6,9,14-17,20,23H,2-4,7-8,10-13,18H2,1H3,(H,29,32)(H,30,33)
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| InChIKey |
VXCFVNGAUKTQPW-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