General Information of the Compound
| Compound ID |
CP0398251
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| Compound Name |
US9469631, 105
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| Structure |
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| Formula |
C26H33N3O5S
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| Molecular Weight |
499.633
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O
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| InChI |
InChI=1S/C26H33N3O5S/c1-26(2,3)34-25(31)28-16-14-22(15-17-28)29(21-10-11-21)24(30)20-6-4-18(5-7-20)19-8-12-23(13-9-19)35(27,32)33/h4-9,12-13,21-22H,10-11,14-17H2,1-3H3,(H2,27,32,33)
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| InChIKey |
WXISPCUIRIOIFF-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