General Information of the Compound
| Compound ID |
CP0544407
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| Compound Name |
US10167273, Example 62
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| Structure |
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| Formula |
C20H26BrN3O4S
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| Molecular Weight |
484.416
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| Canonical SMILES |
CCOC(=O)C1(Cc2ccc(Br)cc2)CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C
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| InChI |
InChI=1S/C20H26BrN3O4S/c1-4-28-19(25)20(13-16-5-7-17(21)8-6-16)9-11-24(12-10-20)29(26,27)18-14(2)22-23-15(18)3/h5-8H,4,9-13H2,1-3H3,(H,22,23)
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| InChIKey |
QNHZGRPXIDABBQ-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