General Information of the Compound
| Compound ID |
CP0564936
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| Compound Name |
US9067871, 63
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| Structure |
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| Formula |
C26H28Cl2N2O5S2
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| Molecular Weight |
583.559
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| Canonical SMILES |
CCOC(=O)NC1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2C1Cc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C26H28Cl2N2O5S2/c1-2-34-26(31)30-24-10-7-17-6-9-20(35-12-11-29-37(32,33)25-4-3-13-36-25)16-21(17)22(24)14-18-5-8-19(27)15-23(18)28/h3-6,8-9,13,15-16,22,24,29H,2,7,10-12,14H2,1H3,(H,30,31)
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| InChIKey |
DDMZLHLLAGGIKH-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