General Information of the Compound
| Compound ID |
CP0572380
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| Compound Name |
US9035059, 6-45
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| Structure |
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| Formula |
C35H40FN3O3S
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| Molecular Weight |
601.788
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| Canonical SMILES |
CC(C)(C)c1ccc(CCN2CCc3cc(ccc3C2)S(=O)(=O)Nc2ccc(OCCCc3ccccc3)cc2F)cn1
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| InChI |
InChI=1S/C35H40FN3O3S/c1-35(2,3)34-16-11-27(24-37-34)17-19-39-20-18-28-22-31(14-12-29(28)25-39)43(40,41)38-33-15-13-30(23-32(33)36)42-21-7-10-26-8-5-4-6-9-26/h4-6,8-9,11-16,22-24,38H,7,10,17-21,25H2,1-3H3
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| InChIKey |
QFMQFQGEOUEXHY-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