General Information of the Compound
| Compound ID |
CP0472878
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| Compound Name |
US9035059, 8-1
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| Structure |
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| Formula |
C37H43FN2O3S
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| Molecular Weight |
614.827
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| Canonical SMILES |
CC(C)(C)c1ccc(CCN2CCc3cc(ccc3C2)S(=O)(=O)Nc2ccc(OCCCCc3ccccc3)cc2F)cc1
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| InChI |
InChI=1S/C37H43FN2O3S/c1-37(2,3)32-15-12-29(13-16-32)20-22-40-23-21-30-25-34(18-14-31(30)27-40)44(41,42)39-36-19-17-33(26-35(36)38)43-24-8-7-11-28-9-5-4-6-10-28/h4-6,9-10,12-19,25-26,39H,7-8,11,20-24,27H2,1-3H3
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| InChIKey |
OCUNYJSVMZDBNU-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