General Information of the Compound
| Compound ID |
CP0557768
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| Compound Name |
US9035059, 18-25
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| Structure |
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| Formula |
C35H38FN3O5S
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| Molecular Weight |
631.77
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2ccc(OCCCCOc3ccccc3)cc2F)cc1
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| InChI |
InChI=1S/C35H38FN3O5S/c1-35(2,3)27-12-14-28(15-13-27)37-34(40)39-23-25-11-17-31(21-26(25)24-39)45(41,42)38-33-18-16-30(22-32(33)36)44-20-8-7-19-43-29-9-5-4-6-10-29/h4-6,9-18,21-22,38H,7-8,19-20,23-24H2,1-3H3,(H,37,40)
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| InChIKey |
DJUJJMWABHVRMY-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