General Information of the Compound
| Compound ID |
CP0529025
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| Compound Name |
US8629282, 9
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| Structure |
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| Formula |
C21H15F3N4O4
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| Molecular Weight |
444.369
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| Canonical SMILES |
N[C@@H]1COc2cc(ccc2[C@@H]1O)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C21H15F3N4O4/c22-21(23,24)15-16(10-4-2-1-3-5-10)27-31-18(15)20-26-19(28-32-20)11-6-7-12-14(8-11)30-9-13(25)17(12)29/h1-8,13,17,29H,9,25H2/t13-,17+/m1/s1
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| InChIKey |
ILFIAVWHTRZJRF-DYVFJYSZSA-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