General Information of the Compound
| Compound ID |
CP0560680
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| Compound Name |
US8653100, 26
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| Structure |
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| Formula |
C27H28Cl2N2O3S
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| Molecular Weight |
531.505
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| Canonical SMILES |
Clc1ccc(cc1)C1(CCC1)C1NCCc2ccc(OCCNS(=O)(=O)c3cccc(Cl)c3)cc12
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| InChI |
InChI=1S/C27H28Cl2N2O3S/c28-21-8-6-20(7-9-21)27(12-2-13-27)26-25-18-23(10-5-19(25)11-14-30-26)34-16-15-31-35(32,33)24-4-1-3-22(29)17-24/h1,3-10,17-18,26,30-31H,2,11-16H2
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| InChIKey |
WALPPLJUPQTGIH-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