General Information of the Compound
| Compound ID |
CP0512332
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| Compound Name |
US9278960, 4-74
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| Structure |
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| Formula |
C21H21F3N4O2S
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| Molecular Weight |
450.486
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| Canonical SMILES |
CCc1ncc(s1)-c1cc(nc2cc(CN3CCOC(C3)C(F)(F)F)ccc12)C(N)=O
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| InChI |
InChI=1S/C21H21F3N4O2S/c1-2-19-26-9-17(31-19)14-8-16(20(25)29)27-15-7-12(3-4-13(14)15)10-28-5-6-30-18(11-28)21(22,23)24/h3-4,7-9,18H,2,5-6,10-11H2,1H3,(H2,25,29)
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| InChIKey |
UQDADRXMEZPYID-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