General Information of the Compound
| Compound ID |
CP0560936
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| Compound Name |
US9035059, 19-2
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| Structure |
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| Formula |
C35H38FN3O4S
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| Molecular Weight |
615.771
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2ccc(OCCCCc3ccccc3)cc2F)cc1
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| InChI |
InChI=1S/C35H38FN3O4S/c1-35(2,3)28-13-15-29(16-14-28)37-34(40)39-23-26-12-18-31(21-27(26)24-39)44(41,42)38-33-19-17-30(22-32(33)36)43-20-8-7-11-25-9-5-4-6-10-25/h4-6,9-10,12-19,21-22,38H,7-8,11,20,23-24H2,1-3H3,(H,37,40)
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| InChIKey |
TYEIRRIQGSKUFO-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