General Information of the Compound
| Compound ID |
CP0568563
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| Compound Name |
US11304929, Example 02-011
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| Structure |
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| Formula |
C24H27N3O5S
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| Molecular Weight |
469.563
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| Canonical SMILES |
CC(C)OC(=O)CS(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)c1cc(nn1C)-c1ccccc1
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| InChI |
InChI=1S/C24H27N3O5S/c1-16(2)32-23(28)15-33(30,31)20-12-10-18(11-13-20)17(3)25-24(29)22-14-21(26-27(22)4)19-8-6-5-7-9-19/h5-14,16-17H,15H2,1-4H3,(H,25,29)/t17-/m1/s1
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| InChIKey |
PKFBPTMGMIMRAN-QGZVFWFLSA-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