General Information of the Compound
| Compound ID |
CP0524446
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| Compound Name |
US8969325, 28
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| Structure |
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| Formula |
C22H21F2N3O3
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| Molecular Weight |
413.424
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| Canonical SMILES |
Cn1c2cccc(NC(=O)N[C@@H]3C[C@@](C)(Oc4ccccc34)C(F)F)c2ccc1=O
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| InChI |
InChI=1S/C22H21F2N3O3/c1-22(20(23)24)12-16(14-6-3-4-9-18(14)30-22)26-21(29)25-15-7-5-8-17-13(15)10-11-19(28)27(17)2/h3-11,16,20H,12H2,1-2H3,(H2,25,26,29)/t16-,22-/m1/s1
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| InChIKey |
PUGLLHTUPSOYJY-OPAMFIHVSA-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