General Information of the Compound
| Compound ID |
CP0480095
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| Compound Name |
US9278960, 4-55
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| Structure |
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| Formula |
C20H19F3N4O3S
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| Molecular Weight |
452.458
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| Canonical SMILES |
COc1ncc(s1)-c1cc(nc2cc(CN3CCOC(C3)C(F)(F)F)ccc12)C(N)=O
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| InChI |
InChI=1S/C20H19F3N4O3S/c1-29-19-25-8-16(31-19)13-7-15(18(24)28)26-14-6-11(2-3-12(13)14)9-27-4-5-30-17(10-27)20(21,22)23/h2-3,6-8,17H,4-5,9-10H2,1H3,(H2,24,28)
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| InChIKey |
YGIJLTFYPYQDCB-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