General Information of the Compound
| Compound ID |
CP0533279
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| Compound Name |
13-methyl-6-methylidene-4,8-bis-(4-methylphenyl)sulfonyl-4,8,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene;hydrochloride
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| Formula |
C28H34ClN3O4S2
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| Molecular Weight |
576.184
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| Canonical SMILES |
Cl.Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(C)cc(CCN(CC(=C)C1)S(=O)(=O)c1ccc(C)cc1)n2
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| InChI |
InChI=1S/C28H33N3O4S2.ClH/c1-21-5-9-27(10-6-21)36(32,33)30-15-13-25-17-23(3)18-26(29-25)14-16-31(20-24(4)19-30)37(34,35)28-11-7-22(2)8-12-28;/h5-12,17-18H,4,13-16,19-20H2,1-3H3;1H
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| InChIKey |
OFBWNMVBBYNTLW-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