General Information of the Compound
| Compound ID |
CP0490559
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| Compound Name |
US8802711, 125
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| Structure |
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| Formula |
C20H21FN4O2
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| Molecular Weight |
368.412
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| Canonical SMILES |
Cc1cnc(o1)[C@@H]1CC[C@@H](C1)NC(=O)Nc1c(F)ccc2cnc(C)cc12
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| InChI |
InChI=1S/C20H21FN4O2/c1-11-7-16-14(10-22-11)4-6-17(21)18(16)25-20(26)24-15-5-3-13(8-15)19-23-9-12(2)27-19/h4,6-7,9-10,13,15H,3,5,8H2,1-2H3,(H2,24,25,26)/t13-,15+/m1/s1
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| InChIKey |
RLIYUKZFFNLZSO-HIFRSBDPSA-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