General Information of the Compound
| Compound ID |
CP0556479
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| Compound Name |
US9067871, 72
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| Structure |
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| Formula |
C23H24Cl2N2O3S2
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| Molecular Weight |
511.496
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| Canonical SMILES |
NC1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2C1Cc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C23H24Cl2N2O3S2/c24-17-6-3-16(21(25)13-17)12-20-19-14-18(7-4-15(19)5-8-22(20)26)30-10-9-27-32(28,29)23-2-1-11-31-23/h1-4,6-7,11,13-14,20,22,27H,5,8-10,12,26H2
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| InChIKey |
CEZKXCISFFAHCY-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