General Information of the Compound
| Compound ID |
CP0572381
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| Compound Name |
US9035059, 7-29
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| Structure |
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| Formula |
C29H33F4N3O2S
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| Molecular Weight |
563.661
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| Canonical SMILES |
CCCCCCCc1ccc(NS(=O)(=O)c2ccc3CN(Cc4ccc(nc4)C(F)(F)F)CCc3c2)c(F)c1
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| InChI |
InChI=1S/C29H33F4N3O2S/c1-2-3-4-5-6-7-21-8-12-27(26(30)16-21)35-39(37,38)25-11-10-24-20-36(15-14-23(24)17-25)19-22-9-13-28(34-18-22)29(31,32)33/h8-13,16-18,35H,2-7,14-15,19-20H2,1H3
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| InChIKey |
UHIVAEYWDNJWMD-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