General Information of the Compound
| Compound ID |
CP0957729
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| Compound Name |
US9187424, 100
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| Structure |
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| Formula |
C24H21F6N5O3
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| Molecular Weight |
541.452
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| Canonical SMILES |
COc1cccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)c1
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| InChI |
InChI=1S/C24H21F6N5O3/c1-37-17-5-2-4-14(12-17)18-13-22(24(28,29)30,31-21(36)19(18)20-32-34-35-33-20)15-6-8-16(9-7-15)38-11-3-10-23(25,26)27/h2,4-9,12H,3,10-11,13H2,1H3,(H,31,36)(H,32,33,34,35)
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| InChIKey |
BMCDNXKGDPRWAY-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