General Information of the Compound
| Compound ID |
CP0569137
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| Compound Name |
US9199981, F140
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| Structure |
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| Formula |
C22H18F2N6O3
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| Molecular Weight |
452.421
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccccn12)-c1noc(CNC(=O)C2CC2(F)F)n1
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| InChI |
InChI=1S/C22H18F2N6O3/c1-12-5-6-13(19-28-18(33-29-19)11-26-20(31)14-9-22(14,23)24)8-15(12)27-21(32)16-10-25-17-4-2-3-7-30(16)17/h2-8,10,14H,9,11H2,1H3,(H,26,31)(H,27,32)
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| InChIKey |
ILZBWSFFVJCHLO-UHFFFAOYSA-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