General Information of the Compound
| Compound ID |
CP0540960
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| Compound Name |
US9255103, 44
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| Structure |
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| Formula |
C22H19FN4O2
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| Molecular Weight |
390.418
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| Canonical SMILES |
CC1CN(Cc2cc(COc3ccccc3)nn12)C(=O)c1cc(F)cc(c1)C#N
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| InChI |
InChI=1S/C22H19FN4O2/c1-15-12-26(22(28)17-7-16(11-24)8-18(23)9-17)13-20-10-19(25-27(15)20)14-29-21-5-3-2-4-6-21/h2-10,15H,12-14H2,1H3
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| InChIKey |
AOXJCLIMCPUIMY-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