General Information of the Compound
| Compound ID |
CP0549265
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| Compound Name |
US11304929, Example 05-011
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| Structure |
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| Formula |
C24H27ClN2O5S
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| Molecular Weight |
491.009
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| Canonical SMILES |
CCOC(=O)C(C)S(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)c1cc2c(Cl)cc(C)cc2n1C
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| InChI |
InChI=1S/C24H27ClN2O5S/c1-6-32-24(29)16(4)33(30,31)18-9-7-17(8-10-18)15(3)26-23(28)22-13-19-20(25)11-14(2)12-21(19)27(22)5/h7-13,15-16H,6H2,1-5H3,(H,26,28)/t15-,16?/m1/s1
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| InChIKey |
PJHRAGNYLJARDS-AAFJCEBUSA-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