General Information of the Compound
| Compound ID |
CP0484066
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| Compound Name |
US9303045, 134
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| Structure |
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| Formula |
C19H22N2O5S
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| Molecular Weight |
390.461
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| Canonical SMILES |
O=C(OC1CC2COCC(C1)N2)c1cn(c2ccccc12)S(=O)(=O)C1CC1
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| InChI |
InChI=1S/C19H22N2O5S/c22-19(26-14-7-12-10-25-11-13(8-14)20-12)17-9-21(27(23,24)15-5-6-15)18-4-2-1-3-16(17)18/h1-4,9,12-15,20H,5-8,10-11H2
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| InChIKey |
SJMKNBAICCMYSO-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