General Information of the Compound
| Compound ID |
CP0490149
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| Compound Name |
US11304929, Example 09-014
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| Structure |
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| Formula |
C26H29ClN2O6S
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| Molecular Weight |
533.046
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| Canonical SMILES |
C[C@@H](NC(=O)c1cc2c(Cl)cc(C)cc2n1C)c1ccc(cc1)S(=O)(=O)CC(=O)OC1CCOCC1
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| InChI |
InChI=1S/C26H29ClN2O6S/c1-16-12-22(27)21-14-24(29(3)23(21)13-16)26(31)28-17(2)18-4-6-20(7-5-18)36(32,33)15-25(30)35-19-8-10-34-11-9-19/h4-7,12-14,17,19H,8-11,15H2,1-3H3,(H,28,31)/t17-/m1/s1
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| InChIKey |
MDABDWPHXGMKGM-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