General Information of the Compound
| Compound ID |
CP0373342
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| Compound Name |
4-[5-ethyl-7,7,10,10-tetramethyl-2-(3-trifluoromethyl-benzenesulfonylamino)-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 |
C37H36F3N3O4S
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| Molecular Weight |
675.773
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| Canonical SMILES |
CCN1c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
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| InChI |
InChI=1S/C37H36F3N3O4S/c1-6-43-31-15-14-25(42-48(46,47)26-9-7-8-24(18-26)37(38,39)40)19-30(31)41-33(22-10-12-23(13-11-22)34(44)45)27-20-28-29(21-32(27)43)36(4,5)17-16-35(28,2)3/h7-15,18-21,42H,6,16-17H2,1-5H3,(H,44,45)
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| InChIKey |
CTSLWDDFJPNHBI-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