General Information of the Compound
| Compound ID |
CP0557618
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| Compound Name |
US9067871, 12
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| Structure |
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| Formula |
C23H28Cl2N2O5S
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| Molecular Weight |
515.459
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| Canonical SMILES |
CCOC(=O)NC1CCc2ccc(OCCNS(C)(=O)=O)cc2C1Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C23H28Cl2N2O5S/c1-3-31-23(28)27-22-9-6-16-5-7-17(32-11-10-26-33(2,29)30)14-18(16)19(22)12-15-4-8-20(24)21(25)13-15/h4-5,7-8,13-14,19,22,26H,3,6,9-12H2,1-2H3,(H,27,28)
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| InChIKey |
RKMCSKPQRCIKAB-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