General Information of the Compound
| Compound ID |
CP0572267
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| Compound Name |
US10167273, Example 17
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| Structure |
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| Formula |
C18H25N3O4S
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| Molecular Weight |
379.482
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| Canonical SMILES |
COc1cccc(OC2CCN(CC2)S(=O)(=O)c2c(C)nn(C)c2C)c1
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| InChI |
InChI=1S/C18H25N3O4S/c1-13-18(14(2)20(3)19-13)26(22,23)21-10-8-15(9-11-21)25-17-7-5-6-16(12-17)24-4/h5-7,12,15H,8-11H2,1-4H3
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| InChIKey |
XZSMKHKSLZVTOK-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