General Information of the Compound
| Compound ID |
CP0562362
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| Compound Name |
US9303045, 135
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| Structure |
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| Formula |
C20H26N2O5S
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| Molecular Weight |
406.504
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| Canonical SMILES |
CC(C)CS(=O)(=O)n1cc(C(=O)OC2CC3COCC(C2)N3)c2ccccc12
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| InChI |
InChI=1S/C20H26N2O5S/c1-13(2)12-28(24,25)22-9-18(17-5-3-4-6-19(17)22)20(23)27-16-7-14-10-26-11-15(8-16)21-14/h3-6,9,13-16,21H,7-8,10-12H2,1-2H3
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| InChIKey |
AGILFZOADZMUGL-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