General Information of the Compound
| Compound ID |
CP0012472
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| Compound Name |
US9034866, 6
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| Structure |
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| Formula |
C20H17FN4O4
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| Molecular Weight |
396.378
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| Canonical SMILES |
Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O
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| InChI |
InChI=1S/C20H17FN4O4/c1-11-7-17(24-29-11)20(2,27)4-3-12-8-13-16(9-14(12)21)28-6-5-25-10-15(18(22)26)23-19(13)25/h7-10,27H,5-6H2,1-2H3,(H2,22,26)/t20-/m1/s1
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| InChIKey |
NIKCYGIZNVHYMC-HXUWFJFHSA-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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Table of Molecular Bioactivities Related to the Compound