General Information of the Compound
| Compound ID |
CP0549273
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| Compound Name |
US11304929, Example 01-005
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| Structure |
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| Formula |
C23H25ClN2O6S
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| Molecular Weight |
492.981
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| Canonical SMILES |
CCOC(=O)CS(=O)(=O)c1ccc(cc1)[C@@H](CO)NC(=O)c1cc2c(Cl)cc(C)cc2n1C
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| InChI |
InChI=1S/C23H25ClN2O6S/c1-4-32-22(28)13-33(30,31)16-7-5-15(6-8-16)19(12-27)25-23(29)21-11-17-18(24)9-14(2)10-20(17)26(21)3/h5-11,19,27H,4,12-13H2,1-3H3,(H,25,29)/t19-/m1/s1
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| InChIKey |
UAVDVKYUELREOJ-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