General Information of the Compound
| Compound ID |
CP0907786
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| Compound Name |
SID87542119
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| Structure |
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| Formula |
C35H53N3O6S
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| Molecular Weight |
643.891
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| Canonical SMILES |
C[C@@H]1CCCCO[C@H](CN(C)CC2CCCCC2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1
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| InChI |
InChI=1S/C35H53N3O6S/c1-26-22-38(27(2)25-39)35(40)32-21-30(36-45(41,42)31-16-9-6-10-17-31)18-19-33(32)44-28(3)13-11-12-20-43-34(26)24-37(4)23-29-14-7-5-8-15-29/h6,9-10,16-19,21,26-29,34,36,39H,5,7-8,11-15,20,22-25H2,1-4H3/t26-,27-,28-,34-/m1/s1
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| InChIKey |
NIQNUTWSSZLHED-GWZRSYOGSA-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