General Information of the Compound
| Compound ID |
CP0503620
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| Compound Name |
US8653100, 118
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| Structure |
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| Formula |
C26H35ClN2O3S
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| Molecular Weight |
491.097
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)CCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H35ClN2O3S/c1-25(2,3)29-33(30,31)17-5-16-32-22-11-6-19-12-15-28-24(23(19)18-22)26(13-4-14-26)20-7-9-21(27)10-8-20/h6-11,18,24,28-29H,4-5,12-17H2,1-3H3
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| InChIKey |
UUWBQXMUNMPAOY-UHFFFAOYSA-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