General Information of the Compound
| Compound ID |
CP0512939
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| Compound Name |
US9428456, 1.207
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| Structure |
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| Formula |
C24H29FN4O2
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| Molecular Weight |
424.52
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| Canonical SMILES |
Fc1ccc(nc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCC2)c1
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| InChI |
InChI=1S/C24H29FN4O2/c25-19-8-9-22(26-15-19)24(31)28-21-7-3-4-17(14-21)16-29-12-10-18(11-13-29)23(30)27-20-5-1-2-6-20/h3-4,7-9,14-15,18,20H,1-2,5-6,10-13,16H2,(H,27,30)(H,28,31)
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| InChIKey |
KZTVUKGADAIUIX-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