General Information of the Compound
| Compound ID |
CP0483821
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| Compound Name |
US11304929, Example 01-016
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| Structure |
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| Formula |
C22H23Cl2N3O5S
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| Molecular Weight |
512.415
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| Canonical SMILES |
CCOC(=O)CS(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)c1cc2c(Cl)c(Cl)c(C)nc2n1C
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| InChI |
InChI=1S/C22H23Cl2N3O5S/c1-5-32-18(28)11-33(30,31)15-8-6-14(7-9-15)12(2)26-22(29)17-10-16-20(24)19(23)13(3)25-21(16)27(17)4/h6-10,12H,5,11H2,1-4H3,(H,26,29)/t12-/m1/s1
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| InChIKey |
PJXSMCSLFDETOU-GFCCVEGCSA-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