General Information of the Compound
| Compound ID |
CP0545005
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| Compound Name |
US9409917, 62
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| Structure |
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| Formula |
C20H20F5N5O2
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| Molecular Weight |
457.403
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| Canonical SMILES |
FC(F)(F)c1ncc(cn1)C(CNC(=O)C1COc2ncccc12)N1CCC(F)(F)CC1
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| InChI |
InChI=1S/C20H20F5N5O2/c21-19(22)3-6-30(7-4-19)15(12-8-28-18(29-9-12)20(23,24)25)10-27-16(31)14-11-32-17-13(14)2-1-5-26-17/h1-2,5,8-9,14-15H,3-4,6-7,10-11H2,(H,27,31)
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| InChIKey |
WKQXOBVXZVHDBY-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