General Information of the Compound
| Compound ID |
CP0539548
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| Compound Name |
US8653100, 126
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| Structure |
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| Formula |
C29H40ClN3O5S
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| Molecular Weight |
578.175
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCNS(=O)(=O)CCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H40ClN3O5S/c1-28(2,3)38-27(34)32-16-17-33-39(35,36)19-5-18-37-24-11-6-21-12-15-31-26(25(21)20-24)29(13-4-14-29)22-7-9-23(30)10-8-22/h6-11,20,26,31,33H,4-5,12-19H2,1-3H3,(H,32,34)
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| InChIKey |
SAVGISMOGFTUKI-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