General Information of the Compound
| Compound ID |
CP0127607
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| Compound Name |
US8614223, 101
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| Structure |
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| Formula |
C17H19FN4O2
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| Molecular Weight |
330.363
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| Canonical SMILES |
ONC(=O)c1cnc(NC2(CCCCC2)c2cccc(F)c2)nc1
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| InChI |
InChI=1S/C17H19FN4O2/c18-14-6-4-5-13(9-14)17(7-2-1-3-8-17)21-16-19-10-12(11-20-16)15(23)22-24/h4-6,9-11,24H,1-3,7-8H2,(H,22,23)(H,19,20,21)
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| InChIKey |
IYBURCQQEUNLDL-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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