General Information of the Compound
| Compound ID |
CP0515080
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| Compound Name |
US9035059, 6-19
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| Structure |
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| Formula |
C36H47FN2O2S
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| Molecular Weight |
590.849
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| Canonical SMILES |
CC(C)(C)c1ccc(CCN2CCc3cc(ccc3C2)S(=O)(=O)Nc2ccc(CCCC3CCCCC3)cc2F)cc1
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| InChI |
InChI=1S/C36H47FN2O2S/c1-36(2,3)32-16-12-28(13-17-32)20-22-39-23-21-30-25-33(18-15-31(30)26-39)42(40,41)38-35-19-14-29(24-34(35)37)11-7-10-27-8-5-4-6-9-27/h12-19,24-25,27,38H,4-11,20-23,26H2,1-3H3
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| InChIKey |
RMQAZCNDOPMVGC-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