General Information of the Compound
| Compound ID |
CP0831131
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| Compound Name |
US9260440, 12
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| Structure |
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| Formula |
C21H19FN4O
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| Molecular Weight |
362.408
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| Canonical SMILES |
CN(C)c1ccc(C2CC3=NNC(=O)c4cc(F)cc5[nH]c(c3c45)C2)cc1
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| InChI |
InChI=1S/C21H19FN4O/c1-26(2)14-5-3-11(4-6-14)12-7-16-20-18(8-12)24-25-21(27)15-9-13(22)10-17(23-16)19(15)20/h3-6,9-10,12,23H,7-8H2,1-2H3,(H,25,27)
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| InChIKey |
FIXBSPKLTDSYJC-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