General Information of the Compound
| Compound ID |
CP0373343
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| Compound Name |
4-[2-(4-fluoro-benzenesulfonylamino)-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 |
C37H38FN3O4S
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| Molecular Weight |
639.793
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| Canonical SMILES |
CCCN1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
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| InChI |
InChI=1S/C37H38FN3O4S/c1-6-19-41-32-16-13-26(40-46(44,45)27-14-11-25(38)12-15-27)20-31(32)39-34(23-7-9-24(10-8-23)35(42)43)28-21-29-30(22-33(28)41)37(4,5)18-17-36(29,2)3/h7-16,20-22,40H,6,17-19H2,1-5H3,(H,42,43)
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| InChIKey |
RAJOVFJSIKUPMV-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