General Information of the Compound
| Compound ID |
CP0562650
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| Compound Name |
US9035059, 19-12
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| Structure |
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| Formula |
C32H33FN4O4S
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| Molecular Weight |
588.705
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2ccc(OCCc3ccccn3)cc2F)cc1
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| InChI |
InChI=1S/C32H33FN4O4S/c1-32(2,3)24-8-10-26(11-9-24)35-31(38)37-20-22-7-13-28(18-23(22)21-37)42(39,40)36-30-14-12-27(19-29(30)33)41-17-15-25-6-4-5-16-34-25/h4-14,16,18-19,36H,15,17,20-21H2,1-3H3,(H,35,38)
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| InChIKey |
GRLIDZYVWLKOAD-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