General Information of the Compound
| Compound ID |
CP0565017
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| Compound Name |
US9035059, 18-23
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| Structure |
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| Formula |
C34H36FN3O5S
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| Molecular Weight |
617.743
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2ccc(OCCCOc3ccccc3)cc2F)cc1
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| InChI |
InChI=1S/C34H36FN3O5S/c1-34(2,3)26-11-13-27(14-12-26)36-33(39)38-22-24-10-16-30(20-25(24)23-38)44(40,41)37-32-17-15-29(21-31(32)35)43-19-7-18-42-28-8-5-4-6-9-28/h4-6,8-17,20-21,37H,7,18-19,22-23H2,1-3H3,(H,36,39)
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| InChIKey |
DNMIKIWTJQOXIE-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