General Information of the Compound
| Compound ID |
CP0517227
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| Compound Name |
US9469631, 110
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| Structure |
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| Formula |
C27H33FN2O5S
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| Molecular Weight |
516.635
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C27H33FN2O5S/c1-27(2,3)35-26(32)29-15-13-21(14-16-29)30(20-9-10-20)25(31)19-7-5-18(6-8-19)23-12-11-22(17-24(23)28)36(4,33)34/h5-8,11-12,17,20-21H,9-10,13-16H2,1-4H3
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| InChIKey |
VLLFABCLPUVJJY-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