General Information of the Compound
| Compound ID |
CP0266541
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| Compound Name |
US9085576, 116
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| Structure |
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| Formula |
C18H13BrF4N4O2
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| Molecular Weight |
473.224
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| Canonical SMILES |
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)cc(F)c1F
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| InChI |
InChI=1S/C18H13BrF4N4O2/c19-7-1-2-12(25-6-7)15(28)26-8-3-10(14(21)11(20)4-8)18(16(22)23)9-5-13(9)29-17(24)27-18/h1-4,6,9,13,16H,5H2,(H2,24,27)(H,26,28)/t9-,13+,18-/m0/s1
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| InChIKey |
PWZBFAHIRUDGKN-ZWRLQWNWSA-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