General Information of the Compound
| Compound ID |
CP0400602
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| Compound Name |
US8969325, 91
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| Structure |
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| Formula |
C23H22F3N3O3
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| Molecular Weight |
445.441
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| Canonical SMILES |
Cn1c2cccc(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(ccc34)C(F)(F)F)c2ccc1=O
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| InChI |
InChI=1S/C23H22F3N3O3/c1-22(2)12-17(15-8-7-13(23(24,25)26)11-19(15)32-22)28-21(31)27-16-5-4-6-18-14(16)9-10-20(30)29(18)3/h4-11,17H,12H2,1-3H3,(H2,27,28,31)/t17-/m1/s1
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| InChIKey |
SCQNTYDKQBUBAJ-QGZVFWFLSA-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