General Information of the Compound
| Compound ID |
CP0864557
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| Compound Name |
SID131414686
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| Structure |
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| Formula |
C30H36N2O7S
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| Molecular Weight |
568.692
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| Canonical SMILES |
COc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)Cc1ccc3c(c1)OCO3)[C@H](C)CN([C@@H](C)CO)S2(=O)=O
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| InChI |
InChI=1S/C30H36N2O7S/c1-20-15-32(21(2)18-33)40(34,35)30-12-10-23(24-7-5-6-8-25(24)36-4)14-28(30)39-29(20)17-31(3)16-22-9-11-26-27(13-22)38-19-37-26/h5-14,20-21,29,33H,15-19H2,1-4H3/t20-,21+,29-/m1/s1
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| InChIKey |
YWADXHNDBHGHLS-HNMNOHOESA-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