General Information of the Compound
| Compound ID |
CP0926616
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| Compound Name |
SID131409583
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| Structure |
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| Formula |
C36H41N3O5S
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| Molecular Weight |
627.807
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| Canonical SMILES |
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O
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| InChI |
InChI=1S/C36H41N3O5S/c1-26-22-39(27(2)25-40)36(41)21-31-20-32(37-45(42,43)33-12-8-5-9-13-33)18-19-34(31)44-35(26)24-38(3)23-28-14-16-30(17-15-28)29-10-6-4-7-11-29/h4-20,26-27,35,37,40H,21-25H2,1-3H3/t26-,27+,35+/m0/s1
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| InChIKey |
QMWRRMYICQUONI-FQWYTPLZSA-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