General Information of the Compound
| Compound ID |
CP0449341
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| Compound Name |
4-[2-(butane-1-sulfonylamino)-7,7,10,10-tetramethyl-5-propyl-7,8,9,10-tetrahydro-5H-5,13-diaza-benzo[4,5]cyclohepta[1,2-b]naphthalen-12-yl]-benzoic acid
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| Structure |
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| Formula |
C35H43N3O4S
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| Molecular Weight |
601.813
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| Canonical SMILES |
CCCCS(=O)(=O)Nc1ccc2N(CCC)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C
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| InChI |
InChI=1S/C35H43N3O4S/c1-7-9-19-43(41,42)37-25-14-15-30-29(20-25)36-32(23-10-12-24(13-11-23)33(39)40)26-21-27-28(22-31(26)38(30)18-8-2)35(5,6)17-16-34(27,3)4/h10-15,20-22,37H,7-9,16-19H2,1-6H3,(H,39,40)
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| InChIKey |
KJHJGOYSQXEGLD-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