General Information of the Compound
| Compound ID |
CP0569123
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| Compound Name |
US9035059, 17-1
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| Structure |
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| Formula |
C34H45FN2O3S
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| Molecular Weight |
580.81
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| Canonical SMILES |
CCCCCCCOc1ccc(NS(=O)(=O)c2ccc3CN(CCc4ccc(cc4)C(C)(C)C)CCc3c2)c(F)c1
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| InChI |
InChI=1S/C34H45FN2O3S/c1-5-6-7-8-9-22-40-30-15-17-33(32(35)24-30)36-41(38,39)31-16-12-28-25-37(21-19-27(28)23-31)20-18-26-10-13-29(14-11-26)34(2,3)4/h10-17,23-24,36H,5-9,18-22,25H2,1-4H3
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| InChIKey |
VGQHGZLUKWDTFT-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