General Information of the Compound
| Compound ID |
CP0425506
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| Compound Name |
US9303045, 67
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| Structure |
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| Formula |
C17H20F2N4O
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| Molecular Weight |
334.37
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| Canonical SMILES |
FC(F)Cn1cc(C(=O)N[C@H]2CN3CCC2CC3)c2cccnc12
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| InChI |
InChI=1S/C17H20F2N4O/c18-15(19)10-23-8-13(12-2-1-5-20-16(12)23)17(24)21-14-9-22-6-3-11(14)4-7-22/h1-2,5,8,11,14-15H,3-4,6-7,9-10H2,(H,21,24)/t14-/m0/s1
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| InChIKey |
XWIOHHYXJSQECA-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