General Information of the Compound
| Compound ID |
CP0401962
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| Compound Name |
5,12-ditosyl-5,6,11,12-tetrahydrodibenzo[b,f][1,4]diazocine
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| Structure |
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| Formula |
C28H26N2O4S2
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| Molecular Weight |
518.66
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CN(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C28H26N2O4S2/c1-21-11-15-25(16-12-21)35(31,32)29-19-23-7-3-4-8-24(23)20-30(28-10-6-5-9-27(28)29)36(33,34)26-17-13-22(2)14-18-26/h3-18H,19-20H2,1-2H3
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| InChIKey |
ZKXQFVKBIGIGQH-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