General Information of the Compound
| Compound ID |
CP0476990
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| Compound Name |
US8791272, 19.3
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| Structure |
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| Formula |
C23H24Cl2N2O3S
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| Molecular Weight |
479.429
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| Canonical SMILES |
CCc1nn(Cc2ccc(cc2)S(=O)Cc2ccc(Cl)c(Cl)c2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C23H24Cl2N2O3S/c1-3-21-18(12-23(28)29)22(4-2)27(26-21)13-15-5-8-17(9-6-15)31(30)14-16-7-10-19(24)20(25)11-16/h5-11H,3-4,12-14H2,1-2H3,(H,28,29)
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| InChIKey |
CBHPRSZZZWBFQF-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