General Information of the Compound
| Compound ID |
CP0554403
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| Compound Name |
US9428456, 4.006
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| Structure |
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| Formula |
C24H29FN4O3
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| Molecular Weight |
440.519
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| Canonical SMILES |
[O-][n+]1cc(F)ccc1C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCC2)c1
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| InChI |
InChI=1S/C24H29FN4O3/c25-19-8-9-22(29(32)16-19)24(31)27-21-7-3-4-17(14-21)15-28-12-10-18(11-13-28)23(30)26-20-5-1-2-6-20/h3-4,7-9,14,16,18,20H,1-2,5-6,10-13,15H2,(H,26,30)(H,27,31)
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| InChIKey |
JHTPLNCKOHHXSQ-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