General Information of the Compound
| Compound ID |
CP0490736
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| Compound Name |
US9035059, 6-66
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| Structure |
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| Formula |
C33H41FN2O4S
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| Molecular Weight |
580.766
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| Canonical SMILES |
CC(C)(C)c1ccc(CN2CCc3cc(ccc3C2)S(=O)(=O)Nc2ccc(OCCC3CCOCC3)cc2F)cc1
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| InChI |
InChI=1S/C33H41FN2O4S/c1-33(2,3)28-7-4-25(5-8-28)22-36-16-12-26-20-30(10-6-27(26)23-36)41(37,38)35-32-11-9-29(21-31(32)34)40-19-15-24-13-17-39-18-14-24/h4-11,20-21,24,35H,12-19,22-23H2,1-3H3
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| InChIKey |
DJIUUHDVMMWOBW-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