General Information of the Compound
| Compound ID |
CP0561148
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| Compound Name |
US8987445, 180
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| Structure |
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| Formula |
C28H26N2O4S
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| Molecular Weight |
486.593
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| Canonical SMILES |
Cc1cc2ccccc2nc1N(Cc1ccc2CCCCc2c1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C28H26N2O4S/c1-19-16-24-8-4-5-9-26(24)29-27(19)30(18-20-10-11-21-6-2-3-7-23(21)17-20)35(33,34)25-14-12-22(13-15-25)28(31)32/h4-5,8-17H,2-3,6-7,18H2,1H3,(H,31,32)
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| InChIKey |
MVOQUQILGIMLHY-UHFFFAOYSA-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