General Information of the Compound
| Compound ID |
CP0539503
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| Compound Name |
US9428456, 1.348
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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 |
CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(c[n+]3[O-])C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C24H29F3N4O3/c1-23(2,3)29-21(32)17-9-11-30(12-10-17)14-16-5-4-6-19(13-16)28-22(33)20-8-7-18(15-31(20)34)24(25,26)27/h4-8,13,15,17H,9-12,14H2,1-3H3,(H,28,33)(H,29,32)
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| InChIKey |
JSPKQGWSMSEMFM-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