General Information of the Compound
| Compound ID |
CP0462625
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| Compound Name |
US9000044, 55
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| Structure |
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| Formula |
C23H22ClNO5S
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| Molecular Weight |
459.951
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| Canonical SMILES |
Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)N1CCOCC1
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| InChI |
InChI=1S/C23H22ClNO5S/c1-15-18(13-22(26)27)12-17-2-5-19(24)14-21(17)23(15)16-3-6-20(7-4-16)31(28,29)25-8-10-30-11-9-25/h2-7,12,14H,8-11,13H2,1H3,(H,26,27)
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| InChIKey |
NXKKMKFXDGFXEV-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