General Information of the Compound
| Compound ID |
CP0551343
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| Compound Name |
US8969325, 149
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| Structure |
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| Formula |
C22H21F5N4O4
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| Molecular Weight |
500.424
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| Canonical SMILES |
CN1C(=O)NCc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(OC(F)(F)F)ccc34)cccc12
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| InChI |
InChI=1S/C22H21F5N4O4/c1-31-17-4-2-3-15(14(17)9-28-20(31)33)29-19(32)30-16-8-21(10-23,11-24)35-18-7-12(5-6-13(16)18)34-22(25,26)27/h2-7,16H,8-11H2,1H3,(H,28,33)(H2,29,30,32)/t16-/m1/s1
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| InChIKey |
YEEFANPDTSDMJW-MRXNPFEDSA-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