General Information of the Compound
| Compound ID |
CP0543382
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| Compound Name |
US10196390, Compound I-80
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| Structure |
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| Formula |
C22H19F2N5O2
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| Molecular Weight |
423.423
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| Canonical SMILES |
CCNC(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
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| InChI |
InChI=1S/C22H19F2N5O2/c1-2-25-17(30)10-12-6-8-13(9-7-12)27-21-19-16(11-26-22(19)31)28-20(29-21)18-14(23)4-3-5-15(18)24/h3-9H,2,10-11H2,1H3,(H,25,30)(H,26,31)(H,27,28,29)
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| InChIKey |
NLMBEXJVJAWLIX-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