General Information of the Compound
| Compound ID |
CP0549691
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| Compound Name |
US11304929, Example 02-007
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| Structure |
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| Formula |
C22H23N3O6S
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| Molecular Weight |
457.508
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| Canonical SMILES |
COC(=O)CS(=O)(=O)c1ccc(cc1)[C@@H](CO)NC(=O)c1cc(nn1C)-c1ccccc1
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| InChI |
InChI=1S/C22H23N3O6S/c1-25-20(12-18(24-25)15-6-4-3-5-7-15)22(28)23-19(13-26)16-8-10-17(11-9-16)32(29,30)14-21(27)31-2/h3-12,19,26H,13-14H2,1-2H3,(H,23,28)/t19-/m1/s1
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| InChIKey |
CZKJTHJSBGCUGF-LJQANCHMSA-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