General Information of the Compound
| Compound ID |
CP0409784
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| Compound Name |
US9862730, Example 396
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| Structure |
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| Formula |
C30H24F3N3O5S
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| Molecular Weight |
595.599
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4cc(ccc4C)C(F)(F)F)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C30H24F3N3O5S/c1-17-7-8-20(30(31,32)33)10-19(17)16-39-21-6-4-5-18(9-21)15-40-25-11-22(37-2)12-26-23(25)13-27(41-26)24-14-36-28(34-24)42-29(35-36)38-3/h4-14H,15-16H2,1-3H3
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| InChIKey |
NBPAFFMOZTYXFB-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