General Information of the Compound
| Compound ID |
CP0012866
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| Compound Name |
US9745291, Compound 122
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| Structure |
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| Formula |
C26H34N4O6S
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| Molecular Weight |
530.647
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| Canonical SMILES |
CC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C26H34N4O6S/c1-20(31)29-12-14-30(15-13-29)37(34,35)25-9-5-4-8-24(25)36-19-26(33)27-16-23(32)18-28-11-10-21-6-2-3-7-22(21)17-28/h2-9,23,32H,10-19H2,1H3,(H,27,33)
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| InChIKey |
QEDGTEOKLCZELJ-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