General Information of the Compound
| Compound ID |
CP0559653
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| Compound Name |
US9035059, 6-34
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| Structure |
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| Formula |
C36H42FN3O3S
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| Molecular Weight |
615.815
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| Canonical SMILES |
CC(C)(C)c1ccc(CN2CCc3cc(ccc3C2)S(=O)(=O)Nc2ccc(OCCCCCc3ccccc3)cc2F)cn1
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| InChI |
InChI=1S/C36H42FN3O3S/c1-36(2,3)35-18-13-28(24-38-35)25-40-20-19-29-22-32(16-14-30(29)26-40)44(41,42)39-34-17-15-31(23-33(34)37)43-21-9-5-8-12-27-10-6-4-7-11-27/h4,6-7,10-11,13-18,22-24,39H,5,8-9,12,19-21,25-26H2,1-3H3
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| InChIKey |
ZJFPFHMCIXQISS-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