General Information of the Compound
| Compound ID |
CP0470343
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| Compound Name |
US9187424, 35
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| Structure |
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| Formula |
C29H25F3N2O2
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| Molecular Weight |
490.525
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCc2ccccc2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C29H25F3N2O2/c1-20-9-11-22(12-10-20)25-18-28(29(30,31)32,34-27(35)26(25)19-33)23-13-15-24(16-14-23)36-17-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-16H,5,8,17-18H2,1H3,(H,34,35)
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| InChIKey |
GWYUTJRXSWJAAZ-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