General Information of the Compound
| Compound ID |
CP0549871
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| Compound Name |
US9206164, 89
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| Structure |
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| Formula |
C22H21BrFN5O2
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| Molecular Weight |
486.345
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| Canonical SMILES |
CCc1nn(Cc2ccc(cc2F)-c2nc3cc(Br)cnc3[nH]2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C22H21BrFN5O2/c1-3-17-15(9-20(30)31)19(4-2)29(28-17)11-13-6-5-12(7-16(13)24)21-26-18-8-14(23)10-25-22(18)27-21/h5-8,10H,3-4,9,11H2,1-2H3,(H,30,31)(H,25,26,27)
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| InChIKey |
XAXJCITZMHFXLQ-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