General Information of the Compound
| Compound ID |
CP0856879
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| Compound Name |
SID131412872
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| Structure |
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| Formula |
C39H48N4O7S
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| Molecular Weight |
716.901
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| Canonical SMILES |
C[C@@H]1CCCCO[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1
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| InChI |
InChI=1S/C39H48N4O7S/c1-27-24-43(28(2)26-44)38(45)34-23-31(41-51(47,48)32-16-6-5-7-17-32)20-21-36(34)50-29(3)13-10-11-22-49-37(27)25-42(4)39(46)40-35-19-12-15-30-14-8-9-18-33(30)35/h5-9,12,14-21,23,27-29,37,41,44H,10-11,13,22,24-26H2,1-4H3,(H,40,46)/t27-,28-,29-,37+/m1/s1
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| InChIKey |
MDXCNNUEDCXFGI-QLPOITFWSA-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