General Information of the Compound
| Compound ID |
CP0565129
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| Compound Name |
US9035059, 18-22
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| Structure |
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| Formula |
C34H36FN3O6S
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| Molecular Weight |
633.742
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| Canonical SMILES |
COc1ccc(OCCOc2ccc(NS(=O)(=O)c3ccc4CN(Cc4c3)C(=O)Nc3ccc(cc3)C(C)(C)C)c(F)c2)cc1
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| InChI |
InChI=1S/C34H36FN3O6S/c1-34(2,3)25-6-8-26(9-7-25)36-33(39)38-21-23-5-15-30(19-24(23)22-38)45(40,41)37-32-16-14-29(20-31(32)35)44-18-17-43-28-12-10-27(42-4)11-13-28/h5-16,19-20,37H,17-18,21-22H2,1-4H3,(H,36,39)
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| InChIKey |
GLZPTHRCFPZIKA-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