General Information of the Compound
| Compound ID |
CP0868348
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| Compound Name |
SID131415030
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| Structure |
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| Formula |
C31H31FN2O7S
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| Molecular Weight |
594.661
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3F)cc2O[C@H]1CN(C)C(=O)c1ccc2c(c1)OCO2
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| InChI |
InChI=1S/C31H31FN2O7S/c1-20-16-34(21(2)18-35)42(37,38)30-13-9-22(8-10-23-6-4-5-7-25(23)32)14-28(30)41-29(20)17-33(3)31(36)24-11-12-26-27(15-24)40-19-39-26/h4-7,9,11-15,20-21,29,35H,16-19H2,1-3H3/t20-,21+,29+/m1/s1
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| InChIKey |
JDSMWWFCTGPOGF-CGQTXMLISA-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