General Information of the Compound
| Compound ID |
CP0947288
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| Compound Name |
US9187424, 294
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| Structure |
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| Formula |
C24H20F3N5O2
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| Molecular Weight |
467.451
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| Canonical SMILES |
COc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(C#CCCc3ccccc3)(C(F)(F)F)C2)cc1
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| InChI |
InChI=1S/C24H20F3N5O2/c1-34-18-12-10-17(11-13-18)19-15-23(24(25,26)27,14-6-5-9-16-7-3-2-4-8-16)28-22(33)20(19)21-29-31-32-30-21/h2-4,7-8,10-13H,5,9,15H2,1H3,(H,28,33)(H,29,30,31,32)
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| InChIKey |
GEHFJWHLBAIOQD-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