General Information of the Compound
| Compound ID |
CP0535150
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| Compound Name |
6-methylidene-4,8-bis-(4-methylphenyl)sulfonyl-4,8,15-triazabicyclo[9.3.1]pentadeca-1(14),11-dien-13-one;hydrobromide
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| Formula |
C27H32BrN3O5S2
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| Molecular Weight |
622.607
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| Canonical SMILES |
Br.Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(O)cc(CCN(CC(=C)C1)S(=O)(=O)c1ccc(C)cc1)n2
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| InChI |
InChI=1S/C27H31N3O5S2.BrH/c1-20-4-8-26(9-5-20)36(32,33)29-14-12-23-16-25(31)17-24(28-23)13-15-30(19-22(3)18-29)37(34,35)27-10-6-21(2)7-11-27;/h4-11,16-17H,3,12-15,18-19H2,1-2H3,(H,28,31);1H
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| InChIKey |
UQICNELNBMWXSV-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