General Information of the Compound
| Compound ID |
CP0537472
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| Compound Name |
US9278960, 6-25
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| Structure |
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| Formula |
C21H15ClF3N5O
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| Molecular Weight |
445.832
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| Canonical SMILES |
Cn1cc(cn1)-c1cc(nc2cc(Cc3cc(Cl)nc(c3)C(F)(F)F)ccc12)C(N)=O
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| InChI |
InChI=1S/C21H15ClF3N5O/c1-30-10-13(9-27-30)15-8-17(20(26)31)28-16-5-11(2-3-14(15)16)4-12-6-18(21(23,24)25)29-19(22)7-12/h2-3,5-10H,4H2,1H3,(H2,26,31)
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| InChIKey |
CDXBVWTZDYENGE-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