General Information of the Compound
| Compound ID |
CP0464454
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| Compound Name |
US9062048, 101
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| Structure |
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| Formula |
C20H24F3N5O
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| Molecular Weight |
407.44
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| Canonical SMILES |
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C3CCCCC3)c2c1
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| InChI |
InChI=1S/C20H24F3N5O/c21-20(22,23)13-6-7-17-16(8-13)19(26-12-25-17)24-9-18(29)27-14-10-28(11-14)15-4-2-1-3-5-15/h6-8,12,14-15H,1-5,9-11H2,(H,27,29)(H,24,25,26)
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| InChIKey |
YFUBWFFAQAZXSK-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