General Information of the Compound
| Compound ID |
CP0516229
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| Compound Name |
US9067871, 50
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| Structure |
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| Formula |
C26H29ClN2O5S2
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| Molecular Weight |
549.114
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| Canonical SMILES |
CCOC(=O)NC1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2C1Cc1cccc(Cl)c1
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| InChI |
InChI=1S/C26H29ClN2O5S2/c1-2-33-26(30)29-24-11-9-19-8-10-21(34-13-12-28-36(31,32)25-7-4-14-35-25)17-22(19)23(24)16-18-5-3-6-20(27)15-18/h3-8,10,14-15,17,23-24,28H,2,9,11-13,16H2,1H3,(H,29,30)
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| InChIKey |
VOYNOXORQINFJI-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