General Information of the Compound
| Compound ID |
CP0442573
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| Compound Name |
US9199981, F109
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| Structure |
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| Formula |
C21H17F2N5O2
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| Molecular Weight |
409.396
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| Canonical SMILES |
Cc1cc(C)c(cc1NC(=O)c1cnc2ccccn12)-c1noc(n1)[C@@H]1CC1(F)F
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| InChI |
InChI=1S/C21H17F2N5O2/c1-11-7-12(2)15(25-19(29)16-10-24-17-5-3-4-6-28(16)17)8-13(11)18-26-20(30-27-18)14-9-21(14,22)23/h3-8,10,14H,9H2,1-2H3,(H,25,29)/t14-/m0/s1
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| InChIKey |
GZVKBICARWJUII-AWEZNQCLSA-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