General Information of the Compound
| Compound ID |
CP0491659
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| Compound Name |
US9303045, 133
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| Structure |
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| Formula |
C18H22N2O5S
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| Molecular Weight |
378.45
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| Canonical SMILES |
CCS(=O)(=O)n1cc(C(=O)OC2CC3COCC(C2)N3)c2ccccc12
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| InChI |
InChI=1S/C18H22N2O5S/c1-2-26(22,23)20-9-16(15-5-3-4-6-17(15)20)18(21)25-14-7-12-10-24-11-13(8-14)19-12/h3-6,9,12-14,19H,2,7-8,10-11H2,1H3
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| InChIKey |
GSVZJSDTTMFQFH-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