General Information of the Compound
| Compound ID |
CP0516225
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| Compound Name |
US9035059, 1-5
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| Structure |
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| Formula |
C30H31F4N3O3S
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| Molecular Weight |
589.655
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| Canonical SMILES |
Fc1cc(CCCC2CCCC2)ccc1NS(=O)(=O)c1ccc2CN(CCc2c1)C(=O)c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C30H31F4N3O3S/c31-26-16-21(7-3-6-20-4-1-2-5-20)8-12-27(26)36-41(39,40)25-11-9-24-19-37(15-14-22(24)17-25)29(38)23-10-13-28(35-18-23)30(32,33)34/h8-13,16-18,20,36H,1-7,14-15,19H2
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| InChIKey |
VKTILOSIQPBOEF-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