General Information of the Compound
| Compound ID |
CP0501551
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| Compound Name |
4-[5,7,7,10,10-pentamethyl-2-(4-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 |
C36H34F3N3O4S
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| Molecular Weight |
661.746
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| Canonical SMILES |
CN1c2ccc(NS(=O)(=O)c3ccc(cc3)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/C36H34F3N3O4S/c1-34(2)16-17-35(3,4)28-20-31-26(19-27(28)34)32(21-6-8-22(9-7-21)33(43)44)40-29-18-24(12-15-30(29)42(31)5)41-47(45,46)25-13-10-23(11-14-25)36(37,38)39/h6-15,18-20,41H,16-17H2,1-5H3,(H,43,44)
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| InChIKey |
IELVEKVXXPCGET-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