General Information of the Compound
| Compound ID |
CP0544365
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| Compound Name |
US9278960, 6-26
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| Structure |
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| Formula |
C24H20F3N5O
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| Molecular Weight |
451.452
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| Canonical SMILES |
Cn1cc(cn1)-c1cc(nc2cc(Cc3cc(nc(c3)C(F)(F)F)C3CC3)ccc12)C(N)=O
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| InChI |
InChI=1S/C24H20F3N5O/c1-32-12-16(11-29-32)18-10-21(23(28)33)30-20-7-13(2-5-17(18)20)6-14-8-19(15-3-4-15)31-22(9-14)24(25,26)27/h2,5,7-12,15H,3-4,6H2,1H3,(H2,28,33)
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| InChIKey |
KIHRXNGLVNMIHC-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