General Information of the Compound
| Compound ID |
CP0518540
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| Compound Name |
US9469631, 37
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| Structure |
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| Formula |
C28H36N2O5S
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| Molecular Weight |
512.672
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(CS(C)(=O)=O)cc1
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| InChI |
InChI=1S/C28H36N2O5S/c1-28(2,3)35-27(32)29-17-15-25(16-18-29)30(24-13-14-24)26(31)23-11-9-22(10-12-23)21-7-5-20(6-8-21)19-36(4,33)34/h5-12,24-25H,13-19H2,1-4H3
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| InChIKey |
GFYHCYRTNZDHLJ-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