General Information of the Compound
| Compound ID |
CP0490653
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| Compound Name |
US11304929, Example 01-006
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| Structure |
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| Formula |
C21H21Cl2N3O5S
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| Molecular Weight |
498.388
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| Canonical SMILES |
COC(=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/C21H21Cl2N3O5S/c1-11(13-5-7-14(8-6-13)32(29,30)10-17(27)31-4)25-21(28)16-9-15-19(23)18(22)12(2)24-20(15)26(16)3/h5-9,11H,10H2,1-4H3,(H,25,28)/t11-/m1/s1
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| InChIKey |
SHOMNNHRTLLPNW-LLVKDONJSA-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