General Information of the Compound
| Compound ID |
CP0495789
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| Compound Name |
US11304929, Example 05-017
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| Structure |
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| Formula |
C24H26Cl2N2O6S
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| Molecular Weight |
541.453
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| Canonical SMILES |
COC(=O)C(C)(C)S(=O)(=O)c1ccc(cc1)[C@@H](CO)NC(=O)c1cc2c(Cl)c(Cl)c(C)cc2n1C
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| InChI |
InChI=1S/C24H26Cl2N2O6S/c1-13-10-18-16(21(26)20(13)25)11-19(28(18)4)22(30)27-17(12-29)14-6-8-15(9-7-14)35(32,33)24(2,3)23(31)34-5/h6-11,17,29H,12H2,1-5H3,(H,27,30)/t17-/m1/s1
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| InChIKey |
OQWUXXZXANQKOY-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