General Information of the Compound
| Compound ID |
CP0563293
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| Compound Name |
US9000044, 17
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| Structure |
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| Formula |
C25H18Cl2O4S
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| Molecular Weight |
485.388
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| Canonical SMILES |
Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H18Cl2O4S/c1-15-18(13-24(28)29)12-17-2-5-20(27)14-23(17)25(15)16-3-8-21(9-4-16)32(30,31)22-10-6-19(26)7-11-22/h2-12,14H,13H2,1H3,(H,28,29)
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| InChIKey |
JVYTZRPEMCXBNS-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