General Information of the Compound
| Compound ID |
CP0427698
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| Compound Name |
9-(4-Butyl-phenyl)-5,5-dioxo-6,11-dihydro-5H-5lambda*6*-thia-11-aza-benzo[a]fluorene-3-carboxylic acid
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| Structure |
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| Formula |
C26H23NO4S
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| Molecular Weight |
445.54
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| Canonical SMILES |
CCCCc1ccc(cc1)-c1ccc2c3CS(=O)(=O)c4cc(ccc4-c3[nH]c2c1)C(O)=O
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| InChI |
InChI=1S/C26H23NO4S/c1-2-3-4-16-5-7-17(8-6-16)18-9-11-20-22-15-32(30,31)24-14-19(26(28)29)10-12-21(24)25(22)27-23(20)13-18/h5-14,27H,2-4,15H2,1H3,(H,28,29)
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| InChIKey |
JFRGHJKPPPGAGT-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