General Information of the Compound
| Compound ID |
CP0539539
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| Compound Name |
US9428456, 2.092
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| Structure |
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| Formula |
C24H29F3N4O3
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| Molecular Weight |
478.515
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| Canonical SMILES |
COCC(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(n3)C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C24H29F3N4O3/c1-16(15-34-2)28-22(32)18-9-11-31(12-10-18)14-17-5-3-6-19(13-17)29-23(33)20-7-4-8-21(30-20)24(25,26)27/h3-8,13,16,18H,9-12,14-15H2,1-2H3,(H,28,32)(H,29,33)
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| InChIKey |
SXVUTGYPIAONFW-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