General Information of the Compound
| Compound ID |
CP0561507
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| Compound Name |
US9035059, 1-6
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| Formula |
C34H47FN2O3S
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| Molecular Weight |
582.826
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| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@@H](CC1)C(=O)N1CCc2cc(ccc2C1)S(=O)(=O)Nc1ccc(CCCC2CCCC2)cc1F
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| InChI |
InChI=1S/C34H47FN2O3S/c1-34(2,3)29-15-12-26(13-16-29)33(38)37-20-19-27-22-30(17-14-28(27)23-37)41(39,40)36-32-18-11-25(21-31(32)35)10-6-9-24-7-4-5-8-24/h11,14,17-18,21-22,24,26,29,36H,4-10,12-13,15-16,19-20,23H2,1-3H3/t26-,29-
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| InChIKey |
FQOGKDOTGQDNHL-XQESHEEFSA-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