General Information of the Compound
| Compound ID |
CP0470806
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| Compound Name |
US9035059, 6-30
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| Structure |
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| Formula |
C33H43FN2O4S
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| Molecular Weight |
582.782
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| Canonical SMILES |
CCCCCCOc1ccc(NS(=O)(=O)c2ccc3CN(CCc4ccc(cc4)C(C)(C)CO)CCc3c2)c(F)c1
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| InChI |
InChI=1S/C33H43FN2O4S/c1-4-5-6-7-20-40-29-13-15-32(31(34)22-29)35-41(38,39)30-14-10-27-23-36(19-17-26(27)21-30)18-16-25-8-11-28(12-9-25)33(2,3)24-37/h8-15,21-22,35,37H,4-7,16-20,23-24H2,1-3H3
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| InChIKey |
SYBUPXHAMWYEDM-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