General Information of the Compound
| Compound ID |
CP0572379
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| Compound Name |
US9035059, 6-36
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| Structure |
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| Formula |
C29H43FN2O3S
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| Molecular Weight |
518.739
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| Canonical SMILES |
CCCCCCCCN1CCc2cc(ccc2C1)S(=O)(=O)Nc1ccc(OCCCCCC)cc1F
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| InChI |
InChI=1S/C29H43FN2O3S/c1-3-5-7-9-10-11-18-32-19-17-24-21-27(15-13-25(24)23-32)36(33,34)31-29-16-14-26(22-28(29)30)35-20-12-8-6-4-2/h13-16,21-22,31H,3-12,17-20,23H2,1-2H3
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| InChIKey |
ZXKYPZFZJXJFAA-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