General Information of the Compound
| Compound ID |
CP0465509
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| Compound Name |
US8629282, 57
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| Structure |
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| Formula |
C28H25F3N4O6
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| Molecular Weight |
570.524
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| Canonical SMILES |
O[C@@H]1[C@@H](COc2cc(ccc12)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1)N[C@@H]1CCCC[C@H]1C(O)=O
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| InChI |
InChI=1S/C28H25F3N4O6/c29-28(30,31)21-22(14-6-2-1-3-7-14)34-40-24(21)26-33-25(35-41-26)15-10-11-17-20(12-15)39-13-19(23(17)36)32-18-9-5-4-8-16(18)27(37)38/h1-3,6-7,10-12,16,18-19,23,32,36H,4-5,8-9,13H2,(H,37,38)/t16-,18-,19-,23+/m1/s1
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| InChIKey |
WPOYNTSEEVVZAO-UYCVCSCRSA-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