General Information of the Compound
| Compound ID |
CP0562649
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| Compound Name |
US9035059, 19-4
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| Structure |
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| Formula |
C33H40FN3O4S
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| Molecular Weight |
593.765
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| Canonical SMILES |
C\C=C/CCCCCOc1ccc(NS(=O)(=O)c2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)C(C)(C)C)c(F)c1
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| InChI |
InChI=1S/C33H40FN3O4S/c1-5-6-7-8-9-10-19-41-28-16-18-31(30(34)21-28)36-42(39,40)29-17-11-24-22-37(23-25(24)20-29)32(38)35-27-14-12-26(13-15-27)33(2,3)4/h5-6,11-18,20-21,36H,7-10,19,22-23H2,1-4H3,(H,35,38)/b6-5-
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| InChIKey |
YLJPQVAHNSNLOF-WAYWQWQTSA-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