General Information of the Compound
| Compound ID |
CP0007271
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| Compound Name |
US9777008, Compound 130
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| Structure |
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| Formula |
C25H27NO4S
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| Molecular Weight |
437.561
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| Canonical SMILES |
CS(=O)(=O)c1cccc(c1)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C25H27NO4S/c1-31(28,29)25-11-5-9-21(15-25)20-8-4-10-24(14-20)30-18-23(27)17-26-13-12-19-6-2-3-7-22(19)16-26/h2-11,14-15,23,27H,12-13,16-18H2,1H3
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| InChIKey |
OEJGYJYKQUJCIQ-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