General Information of the Compound
| Compound ID |
CP0550651
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| Compound Name |
US9278960, 7-36
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| Structure |
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| Formula |
C21H21F4N5O
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| Molecular Weight |
435.425
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| Canonical SMILES |
Cn1cc(cn1)-c1cc(nc2c(F)c(CN3CCCC(C3)C(F)(F)F)ccc12)C(N)=O
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| InChI |
InChI=1S/C21H21F4N5O/c1-29-9-13(8-27-29)16-7-17(20(26)31)28-19-15(16)5-4-12(18(19)22)10-30-6-2-3-14(11-30)21(23,24)25/h4-5,7-9,14H,2-3,6,10-11H2,1H3,(H2,26,31)
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| InChIKey |
MBFDCVWGWFODLU-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