General Information of the Compound
| Compound ID |
CP0526406
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| Compound Name |
US9000044, 36
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| Structure |
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| Formula |
C25H26ClNO4S
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| Molecular Weight |
472.006
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| Canonical SMILES |
Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)NC1CCCCC1
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| InChI |
InChI=1S/C25H26ClNO4S/c1-16-19(14-24(28)29)13-18-7-10-20(26)15-23(18)25(16)17-8-11-22(12-9-17)32(30,31)27-21-5-3-2-4-6-21/h7-13,15,21,27H,2-6,14H2,1H3,(H,28,29)
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| InChIKey |
QSKPDDMBZVXLAN-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