General Information of the Compound
| Compound ID |
CP0868815
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| Compound Name |
US9187424, 289
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| Structure |
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| Formula |
C29H28F3N5O
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| Molecular Weight |
519.571
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| Canonical SMILES |
Cc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(C#CCC4CCCCC4)cc3)(C(F)(F)F)C2)cc1
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| InChI |
InChI=1S/C29H28F3N5O/c1-19-10-14-22(15-11-19)24-18-28(29(30,31)32,33-27(38)25(24)26-34-36-37-35-26)23-16-12-21(13-17-23)9-5-8-20-6-3-2-4-7-20/h10-17,20H,2-4,6-8,18H2,1H3,(H,33,38)(H,34,35,36,37)
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| InChIKey |
JXDWPXYGQBXLHU-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