General Information of the Compound
| Compound ID |
CP0553376
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| Compound Name |
US9067871, 5
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| Structure |
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| Formula |
C24H25Cl2N3O3S
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| Molecular Weight |
506.455
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| Canonical SMILES |
NC1CCc2ccc(OCCNS(=O)(=O)c3cccnc3)cc2C1Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C24H25Cl2N3O3S/c25-22-7-3-16(13-23(22)26)12-21-20-14-18(6-4-17(20)5-8-24(21)27)32-11-10-29-33(30,31)19-2-1-9-28-15-19/h1-4,6-7,9,13-15,21,24,29H,5,8,10-12,27H2
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| InChIKey |
ZGOLJQAXMZOLCC-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